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Home > Nitro Compounds > 1376363-04-0
1376363-04-0 | 2-methoxy-2-(4-nitrophenyl)acetonitrile
CAS No: 1376363-04-0 Catalog No: AG019U0P MDL No:MFCD22056509
Product Description
Catalog Number:
AG019U0P
Chemical Name:
2-methoxy-2-(4-nitrophenyl)acetonitrile
CAS Number:
1376363-04-0
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD22056509
IUPAC Name:
2-methoxy-2-(4-nitrophenyl)acetonitrile
InChI:
InChI=1S/C9H8N2O3/c1-14-9(6-10)7-2-4-8(5-3-7)11(12)13/h2-5,9H,1H3
InChI Key:
QNSXWUOFERDYRW-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
245
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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