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13855-74-8 | Benzamide, 4-chloro-N-(hydroxymethyl)-
CAS No: 13855-74-8 Catalog No: AG0019F2 MDL No:MFCD00558390
Product Description
Catalog Number:
AG0019F2
Chemical Name:
Benzamide, 4-chloro-N-(hydroxymethyl)-
CAS Number:
13855-74-8
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD00558390
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
SMILES:
OCNC(=O)c1ccc(cc1)Cl
Properties
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
Literature
| Title | Journal |
|---|---|
| Kinetic dependence of the aqueous reaction of N-(hydroxymethyl)benzamide derivatives upon addition of electron-withdrawing groups. | Organic letters 20010111 |
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