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202865-71-2 | 2-Propenoic acid, 3-(5-bromo-2-fluorophenyl)-
CAS No: 202865-71-2 Catalog No: AG0028IF MDL No:MFCD00143427
Product Description
Catalog Number:
AG0028IF
Chemical Name:
2-Propenoic acid, 3-(5-bromo-2-fluorophenyl)-
CAS Number:
202865-71-2
Molecular Formula:
C9H6BrFO2
Molecular Weight:
245.0451
MDL Number:
MFCD00143427
IUPAC Name:
(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6BrFO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key:
ROTBALNVXDGIQY-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1cc(Br)ccc1F
EC Number:
606-498-1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
243.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.047g/mol
Monoisotopic Mass:
243.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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