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119516-86-8 | Benzonitrile, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 119516-86-8 Catalog No: AG000IWX MDL No:MFCD03228548
Product Description
Catalog Number:
AG000IWX
Chemical Name:
Benzonitrile, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
119516-86-8
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
MDL Number:
MFCD03228548
IUPAC Name:
4-(2,5-dimethylpyrrol-1-yl)benzonitrile
InChI:
InChI=1S/C13H12N2/c1-10-3-4-11(2)15(10)13-7-5-12(9-14)6-8-13/h3-8H,1-2H3
InChI Key:
FNDFKQYZEDOHRC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1c(C)ccc1C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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