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Home > Imidazoles > 154312-75-1
154312-75-1 | (1-methyl-1H-imidazol-5-yl)acetonitrile hydrochloride
CAS No: 154312-75-1 Catalog No: AG00J2EE MDL No:MFCD22666516
Product Description
Catalog Number:
AG00J2EE
Chemical Name:
(1-methyl-1H-imidazol-5-yl)acetonitrile hydrochloride
CAS Number:
154312-75-1
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
MDL Number:
MFCD22666516
IUPAC Name:
2-(3-methylimidazol-4-yl)acetonitrile;hydrochloride
InChI:
InChI=1S/C6H7N3.ClH/c1-9-5-8-4-6(9)2-3-7;/h4-5H,2H2,1H3;1H
InChI Key:
ACVJRUOQZWZKAV-UHFFFAOYSA-N
SMILES:
Cn1cncc1CC#N.Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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