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Home > Bromides > 1321613-02-8
1321613-02-8 | Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester
CAS No: 1321613-02-8 Catalog No: AG0010BH MDL No:MFCD22574196
Product Description
Catalog Number:
AG0010BH
Chemical Name:
Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester
CAS Number:
1321613-02-8
Molecular Formula:
C8H5BrClFO2
Molecular Weight:
267.4795
MDL Number:
MFCD22574196
IUPAC Name:
methyl 4-bromo-2-chloro-6-fluorobenzoate
InChI:
InChI=1S/C8H5BrClFO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI Key:
MDFGLYHZCDEBLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cc(cc1Cl)Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.915g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.478g/mol
Monoisotopic Mass:
265.915g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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