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1215206-55-5 | 1H-Benzimidazole-5-carbonitrile, 1-(1-methylethyl)-
CAS No: 1215206-55-5 Catalog No: AG00157P MDL No:MFCD15143576
Product Description
Catalog Number:
AG00157P
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 1-(1-methylethyl)-
CAS Number:
1215206-55-5
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD15143576
IUPAC Name:
1-propan-2-ylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C11H11N3/c1-8(2)14-7-13-10-5-9(6-12)3-4-11(10)14/h3-5,7-8H,1-2H3
InChI Key:
ODUZNBDWBQODIQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncn2C(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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