| CAS Number | 116599-39-4 |
| Catalog Number | AG008S0A(AGN-PC-0WBPF5) |
| Chemical Name | (4-Chloro-3-nitrobenzyl)amine hydrochloride |
| IUPAC Name | (4-chloro-3-nitrophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C7H7ClN2O2.ClH/c8-6-2-1-5(4-9)3-7(6)10(11)12;/h1-3H,4,9H2;1H |
| InChI Key | IPELJBOKRMZXRA-UHFFFAOYSA-N |
| MDL Number | MFCD06797911 |
| Molecular Formula | C7H8Cl2N2O2 |
| Molecular Weight | 223.0566 |
| SMILES | NCc1ccc(c(c1)[N+](=O)[O-])Cl.Cl |
| Synonyms | 116599-39-4,
(4-chloro-3-nitrophenyl)methanamine hydrochloride,
(4-chloro-3-nitrobenzyl)amine hydrochloride,
[(4-Chloro-3-nitrophenyl)methyl]amine hydrochloride,
SCHEMBL1725403,
IPELJBOKRMZXRA-UHFFFAOYSA-N,
(4-chloro-3-nitrobenzyl)amine HCl,
9741AC,
MFCD06797911,
4-chloro-3-nitrobenzylamine hydrochloride,
(4-Chloro-3-nitrophenyl)methylamine hydrochloride,
C7H8Cl2N2O2,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.053g/mol |
| Monoisotopic Mass | 221.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number