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Home > Nitro Compounds > 105003-90-5
105003-90-5 | Benzeneacetonitrile, 4-methoxy-2-nitro-
CAS No: 105003-90-5 Catalog No: AG00HAKD MDL No:MFCD07780792
Product Description
Catalog Number:
AG00HAKD
Chemical Name:
Benzeneacetonitrile, 4-methoxy-2-nitro-
CAS Number:
105003-90-5
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD07780792
IUPAC Name:
2-(4-methoxy-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O3/c1-14-8-3-2-7(4-5-10)9(6-8)11(12)13/h2-3,6H,4H2,1H3
InChI Key:
GFFVSMHCRCHFEI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1[N+](=O)[O-])OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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