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1248924-55-1 | Benzoic acid, 5-bromo-2-(formylamino)-
CAS No: 1248924-55-1 Catalog No: AG000MUV MDL No:MFCD16666287
Product Description
Catalog Number:
AG000MUV
Chemical Name:
Benzoic acid, 5-bromo-2-(formylamino)-
CAS Number:
1248924-55-1
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD16666287
IUPAC Name:
5-bromo-2-formamidobenzoic acid
InChI:
InChI=1S/C8H6BrNO3/c9-5-1-2-7(10-4-11)6(3-5)8(12)13/h1-4H,(H,10,11)(H,12,13)
InChI Key:
KLDCQRVJEODECR-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1C(=O)O)Br
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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