200,000+ products from a single source!
sales@angenechem.com
101861-53-4 | Benzoic acid, 2-(acetylamino)-4-bromo-
CAS No: 101861-53-4 Catalog No: AG0005SO MDL No:MFCD12805958
Product Description
Catalog Number:
AG0005SO
Chemical Name:
Benzoic acid, 2-(acetylamino)-4-bromo-
CAS Number:
101861-53-4
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD12805958
IUPAC Name:
2-acetamido-4-bromobenzoic acid
InChI:
InChI=1S/C9H8BrNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
HODOWTASDNNNCT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(Br)ccc1C(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.