| CAS Number | 104317-94-4 |
| Catalog Number | AG00863Q(AGN-PC-00NHMG) |
| Chemical Name | Benzenemethanol, 3-amino-4-chloro- |
| IUPAC Name | (3-amino-4-chlorophenyl)methanol |
| InChI | InChI=1S/C7H8ClNO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4,9H2 |
| InChI Key | XKGOGOLMEYUITI-UHFFFAOYSA-N |
| MDL Number | MFCD09908398 |
| Molecular Formula | C7H8ClNO |
| Molecular Weight | 157.5975 |
| SMILES | OCC1=CC=C(Cl)C(N)=C1 |
| Synonyms | (3-amino-4-chlorophenyl)methanol,
104317-94-4,
Benzenemethanol, 3-amino-4-chloro-,
(3-amino-4-chloro-phenyl)-methanol,
SCHEMBL216270,
ACMC-20m746,
3-Amino-4-chlorobenzyl alcohol,
3-amino-4-chloro-benzyl alcohol,
CTK0D8084,
DTXSID30545570,
XKGOGOLMEYUITI-UHFFFAOYSA-N,
2-Chloro-5-(hydroxymethyl)aniline,
AC1Q5106,
ZINC34111637,
AKOS009359313,
MCULE-3660165059,
NE34387,
EN300-65732,
Z1262398421,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.597g/mol |
| Monoisotopic Mass | 157.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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