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24611-70-9 | 1H-Benzotriazole-6-carbonitrile
CAS No: 24611-70-9 Catalog No: AG002ORR MDL No:MFCD08669484
Product Description
Catalog Number:
AG002ORR
Chemical Name:
1H-Benzotriazole-6-carbonitrile
CAS Number:
24611-70-9
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD08669484
IUPAC Name:
2H-benzotriazole-5-carbonitrile
InChI:
InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)
InChI Key:
OEBMOZBCDOBXAN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]nn2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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