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1236079-27-8 |
CAS No: 1236079-27-8 Catalog No: AG01FN27 MDL No:
Product Description
Catalog Number:
AG01FN27
CAS Number:
1236079-27-8
IUPAC Name:
4-(difluoromethylsulfonyl)benzonitrile
InChI:
InChI=1S/C8H5F2NO2S/c9-8(10)14(12,13)7-3-1-6(5-11)2-4-7/h1-4,8H
InChI Key:
MOBLNMQNSNBXBQ-UHFFFAOYSA-N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.19g/mol
Monoisotopic Mass:
217.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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