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Home > Fluorides > 1003712-20-6
1003712-20-6 | Benzonitrile, 2,5-difluoro-3-methyl-
CAS No: 1003712-20-6 Catalog No: AG0001SD MDL No:MFCD09996954
Product Description
Catalog Number:
AG0001SD
Chemical Name:
Benzonitrile, 2,5-difluoro-3-methyl-
CAS Number:
1003712-20-6
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD09996954
IUPAC Name:
2,5-difluoro-3-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-2-7(9)3-6(4-11)8(5)10/h2-3H,1H3
InChI Key:
GOCHUEANXRBERE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1F)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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