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13091-43-5 | Benzoic acid, 2-amino-3-bromo-5-methyl-
CAS No: 13091-43-5 Catalog No: AG000V3P MDL No:MFCD00051705
Product Description
Catalog Number:
AG000V3P
Chemical Name:
Benzoic acid, 2-amino-3-bromo-5-methyl-
CAS Number:
13091-43-5
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD00051705
IUPAC Name:
2-amino-3-bromo-5-methylbenzoic acid
InChI:
InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
LCMZECCEEOQWLQ-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)C(=O)O)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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