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2059966-90-2 | 5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbonitrile
CAS No: 2059966-90-2 Catalog No: AG01BOMQ MDL No:MFCD30499319
Product Description
Catalog Number:
AG01BOMQ
Chemical Name:
5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbonitrile
CAS Number:
2059966-90-2
Molecular Formula:
C9H4F2N2S2
Molecular Weight:
242.2683
MDL Number:
MFCD30499319
IUPAC Name:
5-[2-(difluoromethyl)-1,3-thiazol-5-yl]thiophene-2-carbonitrile
InChI:
InChI=1S/C9H4F2N2S2/c10-8(11)9-13-4-7(15-9)6-2-1-5(3-12)14-6/h1-2,4,8H
InChI Key:
PJWVBJDSPGECDR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)c1cnc(s1)C(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.978g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.262g/mol
Monoisotopic Mass:
241.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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