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22921-67-1 | Benzoic acid, 5-(acetylamino)-2-bromo-
CAS No: 22921-67-1 Catalog No: AG002LIH MDL No:MFCD00040902
Product Description
Catalog Number:
AG002LIH
Chemical Name:
Benzoic acid, 5-(acetylamino)-2-bromo-
CAS Number:
22921-67-1
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD00040902
IUPAC Name:
5-acetamido-2-bromobenzoic acid
InChI:
InChI=1S/C9H8BrNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
JUWQEPVNDAKOQG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)O)Br
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:
2.1
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