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Home > Fluorides > 682804-96-2
682804-96-2 | 2,3-Difluoro-4-methylcinnamic acid
CAS No: 682804-96-2 Catalog No: AG01EWY1 MDL No:
Product Description
Catalog Number:
AG01EWY1
Chemical Name:
2,3-Difluoro-4-methylcinnamic acid
CAS Number:
682804-96-2
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
IUPAC Name:
(E)-3-(2,3-difluoro-4-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8F2O2/c1-6-2-3-7(4-5-8(13)14)10(12)9(6)11/h2-5H,1H3,(H,13,14)/b5-4+
InChI Key:
ARCNJRKWKSYXJY-SNAWJCMRSA-N
SMILES:
Cc1ccc(c(c1F)F)/C=C/C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
198.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.169g/mol
Monoisotopic Mass:
198.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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