Home Halogens 5-amino-3-bromo-2-methylbenzoic acid

5-amino-3-bromo-2-methylbenzoic acid

CAS No.:
1374264-40-0
Catalog Number:
AG01B9EL
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG01B9EL
Chemical Name:
5-amino-3-bromo-2-methylbenzoic acid
CAS Number:
1374264-40-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD20526660
IUPAC Name:
5-amino-3-bromo-2-methylbenzoic acid
InChI:
InChI=1S/C8H8BrNO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
SLSYOGCDCXSKSG-UHFFFAOYSA-N
SMILES:
Nc1cc(Br)c(c(c1)C(=O)O)C
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:
1.8  
Properties