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Home > Bromides > 1365969-22-7
1365969-22-7 | 4-Bromo-3-fluoro-2-methylbenzoic acid methyl ester
CAS No: 1365969-22-7 Catalog No: AG01F31X MDL No:
Product Description
Catalog Number:
AG01F31X
Chemical Name:
4-Bromo-3-fluoro-2-methylbenzoic acid methyl ester
CAS Number:
1365969-22-7
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
IUPAC Name:
methyl 4-bromo-3-fluoro-2-methylbenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4H,1-2H3
InChI Key:
VNAZRCAGSCSSSD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)F)Br
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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