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126120-85-2 | 1,3-Benzodioxole-4-carboxylic acid, 2,2-difluoro-
CAS No: 126120-85-2 Catalog No: AG000RO7 MDL No:MFCD01631473
Product Description
Catalog Number:
AG000RO7
Chemical Name:
1,3-Benzodioxole-4-carboxylic acid, 2,2-difluoro-
CAS Number:
126120-85-2
Molecular Formula:
C8H4F2O4
Molecular Weight:
202.1118
MDL Number:
MFCD01631473
IUPAC Name:
2,2-difluoro-1,3-benzodioxole-4-carboxylic acid
InChI:
InChI=1S/C8H4F2O4/c9-8(10)13-5-3-1-2-4(7(11)12)6(5)14-8/h1-3H,(H,11,12)
InChI Key:
ZGAQVJDFFVTWJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1OC(O2)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.113g/mol
Monoisotopic Mass:
202.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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