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476279-53-5 | Acetonitrile, (1,3-dihydro-1-methyl-2H-benzimidazol-2-ylidene)- (9CI)
CAS No: 476279-53-5 Catalog No: AG00DMCD MDL No:
Product Description
Catalog Number:
AG00DMCD
Chemical Name:
Acetonitrile, (1,3-dihydro-1-methyl-2H-benzimidazol-2-ylidene)- (9CI)
CAS Number:
476279-53-5
IUPAC Name:
(2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)acetonitrile
InChI:
InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-6,12H,1H3/b10-6-
InChI Key:
GMLTWTHAVCBYPE-POHAHGRESA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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