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859937-44-3 | 2-Amino-5-bromo-4-isopropylbenzoic acid
CAS No: 859937-44-3 Catalog No: AG003GFF MDL No:
Product Description
Catalog Number:
AG003GFF
Chemical Name:
2-Amino-5-bromo-4-isopropylbenzoic acid
CAS Number:
859937-44-3
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
IUPAC Name:
2-amino-5-bromo-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H12BrNO2/c1-5(2)6-4-9(12)7(10(13)14)3-8(6)11/h3-5H,12H2,1-2H3,(H,13,14)
InChI Key:
WYJXDUPRFXNOOH-UHFFFAOYSA-N
SMILES:
CC(c1cc(N)c(cc1Br)C(=O)O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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