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1314987-34-2 | Benzoic acid, 2-amino-5-bromo-4-fluoro-, methyl ester
CAS No: 1314987-34-2 Catalog No: AG000WBT MDL No:MFCD09951812
Product Description
Catalog Number:
AG000WBT
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-fluoro-, methyl ester
CAS Number:
1314987-34-2
Molecular Formula:
C8H7BrFNO2
Molecular Weight:
248.0491
MDL Number:
MFCD09951812
IUPAC Name:
methyl 2-amino-5-bromo-4-fluorobenzoate
InChI:
InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
InChI Key:
KCEZKHRRFNEJGO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1N)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.051g/mol
Monoisotopic Mass:
246.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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