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Home > Fluorides > 1541976-46-8
1541976-46-8 | "2,6-difluoro-3-formylbenzonitrile"
CAS No: 1541976-46-8 Catalog No: AG01FN1Q MDL No:MFCD26687933
Product Description
Catalog Number:
AG01FN1Q
Chemical Name:
"2,6-difluoro-3-formylbenzonitrile"
CAS Number:
1541976-46-8
Molecular Formula:
C8H3F2NO
Molecular Weight:
167.1123
MDL Number:
MFCD26687933
IUPAC Name:
2,6-difluoro-3-formylbenzonitrile
InChI:
InChI=1S/C8H3F2NO/c9-7-2-1-5(4-12)8(10)6(7)3-11/h1-2,4H
InChI Key:
RCAHEIDQEALMTO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1F)C#N)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.115g/mol
Monoisotopic Mass:
167.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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