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15961-46-3 | Benzonitrile, 4-(2-thienyl)-
CAS No: 15961-46-3 Catalog No: AG001R7U MDL No:MFCD06801790
Product Description
Catalog Number:
AG001R7U
Chemical Name:
Benzonitrile, 4-(2-thienyl)-
CAS Number:
15961-46-3
Molecular Formula:
C11H7NS
Molecular Weight:
185.2450
MDL Number:
MFCD06801790
IUPAC Name:
4-thiophen-2-ylbenzonitrile
InChI:
InChI=1S/C11H7NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H
InChI Key:
FLJORSLXGMBXBK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccs1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.244g/mol
Monoisotopic Mass:
185.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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