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168899-61-4 | Benzoic acid, 3-amino-2-bromo-
CAS No: 168899-61-4 Catalog No: AG001YCN MDL No:MFCD07786957
Product Description
Catalog Number:
AG001YCN
Chemical Name:
Benzoic acid, 3-amino-2-bromo-
CAS Number:
168899-61-4
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD07786957
IUPAC Name:
3-amino-2-bromobenzoic acid
InChI:
InChI=1S/C7H6BrNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
InChI Key:
PAGROCHVTXMVTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Br)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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