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Home > Nitro Compounds > 147297-34-5
147297-34-5 | Nitrous acid, 4-cyanophenyl ester
CAS No: 147297-34-5 Catalog No: AG001ES7 MDL No:
Product Description
Catalog Number:
AG001ES7
Chemical Name:
Nitrous acid, 4-cyanophenyl ester
CAS Number:
147297-34-5
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
IUPAC Name:
(4-cyanophenyl) nitrite
InChI:
InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)11-9-10/h1-4H
InChI Key:
AIMPUEUWJGKLKP-UHFFFAOYSA-N
SMILES:
O=NOc1ccc(cc1)C#N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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