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Home > Nitro Compounds > 855938-47-5
855938-47-5 | (4-METHYL-2-NITRO-PHENYL)-ACETONITRILE
CAS No: 855938-47-5 Catalog No: AG00GLZ6 MDL No:
Product Description
Catalog Number:
AG00GLZ6
Chemical Name:
(4-METHYL-2-NITRO-PHENYL)-ACETONITRILE
CAS Number:
855938-47-5
IUPAC Name:
2-(4-methyl-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O2/c1-7-2-3-8(4-5-10)9(6-7)11(12)13/h2-3,6H,4H2,1H3
InChI Key:
SLJQHELLPYYDQM-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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