| CAS Number | 13855-74-8 |
| Catalog Number | AG0019F2(AGN-PC-0JPKH9) |
| Chemical Name | 4-chloro-N-(hydroxymethyl)benzamide |
| IUPAC Name | 4-chloro-N-(hydroxymethyl)benzamide |
| InChI | InChI=1S/C8H8ClNO2/c9-7-3-1-6(2-4-7)8(12)10-5-11/h1-4,11H,5H2,(H,10,12) |
| InChI Key | WAIWUONKPOXLDW-UHFFFAOYSA-N |
| MDL Number | MFCD00558390 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | OCNC(C1=CC=C(Cl)C=C1)=O |
| Synonyms | 4-chloro-N-(hydroxymethyl)benzamide,
N-(hydroxymethyl)-4-chlorobenzamide,
4-Chloro-N-(hydroxymethyl)benzamide,
13855-74-8,
CCRIS 2050,
Benzamide, 4-chloro-N-(hydroxymethyl)-,
AC1L4E8M,
SCHEMBL3363697,
CTK4C1295,
DTXSID20160711,
ZINC2674952,
AKOS002662712,
Benzamide,4-chloro-N-(hydroxymethyl)-,
MCULE-9708361412,
NE43427,
LS-188438,
Z1354602490,
CID155414,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number