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Home > Bromides > 1262396-04-2
1262396-04-2 | Benzoic acid, 2-bromo-4-fluoro-6-methyl-, methyl ester
CAS No: 1262396-04-2 Catalog No: AG000SE7 MDL No:MFCD28053775
Product Description
Catalog Number:
AG000SE7
Chemical Name:
Benzoic acid, 2-bromo-4-fluoro-6-methyl-, methyl ester
CAS Number:
1262396-04-2
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD28053775
IUPAC Name:
methyl 2-bromo-4-fluoro-6-methylbenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-5-3-6(11)4-7(10)8(5)9(12)13-2/h3-4H,1-2H3
InChI Key:
AJLWZNNKJCBLHC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1Br)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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