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125707-88-2 | 2H-Tetrazole-2-acetonitrile, 5-phenyl-
CAS No: 125707-88-2 Catalog No: AG000OIZ MDL No:
Product Description
Catalog Number:
AG000OIZ
Chemical Name:
2H-Tetrazole-2-acetonitrile, 5-phenyl-
CAS Number:
125707-88-2
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
IUPAC Name:
2-(5-phenyltetrazol-2-yl)acetonitrile
InChI:
InChI=1S/C9H7N5/c10-6-7-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
NFIHCVIBYVUHFV-UHFFFAOYSA-N
SMILES:
N#CCn1nnc(n1)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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