Home Nitriles 2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)acetonitrile

2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)acetonitrile

CAS No.:
1345728-75-7
Catalog Number:
AG01DYOL
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
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Product Description
Catalog Number:
AG01DYOL
Chemical Name:
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)acetonitrile
CAS Number:
1345728-75-7
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD26691669
IUPAC Name:
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-5H2,(H,11,12)
InChI Key:
YHBMWHDTJMBDKE-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c([nH]1)CCCC2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties