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808132-85-6 | Benzoic acid, 4-(2-bromo-2-fluoroethenyl)-, methyl ester
CAS No: 808132-85-6 Catalog No: AG005IPC MDL No:
Product Description
Catalog Number:
AG005IPC
Chemical Name:
Benzoic acid, 4-(2-bromo-2-fluoroethenyl)-, methyl ester
CAS Number:
808132-85-6
Molecular Formula:
C10H8BrFO2
Molecular Weight:
259.0717
IUPAC Name:
methyl 4-(2-bromo-2-fluoroethenyl)benzoate
InChI:
InChI=1S/C10H8BrFO2/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-6H,1H3
InChI Key:
ZOMWKAMVNDQHDZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=C(Br)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.074g/mol
Monoisotopic Mass:
257.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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