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137860-88-9 | 3-Thiophenecarbonitrile, 2-(4-methylphenyl)-
CAS No: 137860-88-9 Catalog No: AG0013Z2 MDL No:
Product Description
Catalog Number:
AG0013Z2
Chemical Name:
3-Thiophenecarbonitrile, 2-(4-methylphenyl)-
CAS Number:
137860-88-9
Molecular Formula:
C12H9NS
Molecular Weight:
199.2716
IUPAC Name:
2-(4-methylphenyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C12H9NS/c1-9-2-4-10(5-3-9)12-11(8-13)6-7-14-12/h2-7H,1H3
InChI Key:
HJLCVBDLCLWTER-UHFFFAOYSA-N
SMILES:
N#Cc1ccsc1c1ccc(cc1)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.271g/mol
Monoisotopic Mass:
199.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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