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860787-42-4 | 4-Amino-3-bromo-5-methylbenzoic acid
CAS No: 860787-42-4 Catalog No: AG004P6H MDL No:MFCD05975057
Product Description
Catalog Number:
AG004P6H
Chemical Name:
4-Amino-3-bromo-5-methylbenzoic acid
CAS Number:
860787-42-4
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD05975057
IUPAC Name:
4-amino-3-bromo-5-methylbenzoic acid
InChI:
InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
PVGKGOMPWNLCEV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)Br)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:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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