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827-51-0 | Acetonitrile, (nitrosophenylamino)-
CAS No: 827-51-0 Catalog No: AG004ZNJ MDL No:
Product Description
Catalog Number:
AG004ZNJ
Chemical Name:
Acetonitrile, (nitrosophenylamino)-
CAS Number:
827-51-0
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
N-(cyanomethyl)-N-phenylnitrous amide
InChI:
InChI=1S/C8H7N3O/c9-6-7-11(10-12)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
HQMJFKVILSRUNZ-UHFFFAOYSA-N
SMILES:
O=NN(c1ccccc1)CC#N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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