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Home > Fluorides > 847502-87-8
847502-87-8 | 2,4-Difluoro-3-methylbenzonitrile
CAS No: 847502-87-8 Catalog No: AG003FS7 MDL No:MFCD07777155
Product Description
Catalog Number:
AG003FS7
Chemical Name:
2,4-Difluoro-3-methylbenzonitrile
CAS Number:
847502-87-8
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD07777155
IUPAC Name:
2,4-difluoro-3-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChI Key:
GNNHZCHETSTMOG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1F)C)F
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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