Phân loại: Reagent,Coupling ,Amino acid
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 117391-56-7 |
| Catalog Number | AG000E7Q(AGN-PC-0PAF86) |
| Chemical Name | Benzenepropanoic acid, β-amino-2,3-dichloro- |
| IUPAC Name | 3-amino-3-(2,3-dichlorophenyl)propanoic acid |
| InChI | InChI=1S/C9H9Cl2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14) |
| InChI Key | GQKLESLYMHWBOP-UHFFFAOYSA-N |
| MDL Number | MFCD01020954 |
| Molecular Formula | C9H9Cl2NO2 |
| Molecular Weight | 234.0793 |
| SMILES | NC(c1cccc(c1Cl)Cl)CC(=O)O |
| Synonyms |
3-amino-3-(2,3-dichlorophenyl)propanoic acid, 117391-56-7, Benzenepropanoic acid, b-amino-2,3-dichloro-, 3-(2,3-DICHLOROPHENYL)-BETA-ALANINE, 3-Amino-3-(2,3-dichlorophenyl)propionic Acid, 3-Amino-3-(2,3-dichloro-phenyl)-propionic acid, PubChem14454, ACMC-20e35r, AC1MC9G9, Oprea1_034436, SCHEMBL381519, CTK4B0252, DTXSID90377359, GQKLESLYMHWBOP-UHFFFAOYSA-N, KS-00001Z0C, 9949AC, BBL008172, MFCD01871301, SBB098179, STK028661, AKOS000182662, AKOS016340083, AB10449, MCULE-4782046368, RP13434, RTR-003098, SC-59265, SY044836, AB0155658, TR-003098, BB 0249707, FT-0680539, T6899, MFCD01871301 (95%), 3-Amino-3-(2,3-dichlorophenyl)-propionic acid, 3-Amino-3-(2,3-dichloro-phenyl)-propionic acid, 6Y-0854, J-511559, C9H9Cl2NO2, CID2764208, (R)-3-Amino-3-(2,3-dichlorophenyl)propanoic acid, (S)-3-Amino-3-(2,3-dichlorophenyl)propanoic acid, 743416-09-3, 748128-13-4, |
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.076g/mol |
| Monoisotopic Mass | 233.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
| Hazard statements | H302-H312-H332 |
| Precuationary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 |
| Siginal words |