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206548-14-3 | Benzoic acid, 2-amino-5-bromo-3-methyl-, methyl ester
CAS No: 206548-14-3 Catalog No: AG002IJS MDL No:MFCD06797379
Product Description
Catalog Number:
AG002IJS
Chemical Name:
Benzoic acid, 2-amino-5-bromo-3-methyl-, methyl ester
CAS Number:
206548-14-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD06797379
IUPAC Name:
methyl 2-amino-5-bromo-3-methylbenzoate
InChI:
InChI=1S/C9H10BrNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:
NVJKMGDNYCDLGR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1N)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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