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Home > Nitro Compounds > 1019115-11-7
1019115-11-7 | Benzonitrile, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS No: 1019115-11-7 Catalog No: AG0005XQ MDL No:MFCD09965535
Product Description
Catalog Number:
AG0005XQ
Chemical Name:
Benzonitrile, 3-methoxy-2-nitro-4-(phenylmethoxy)-
CAS Number:
1019115-11-7
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
MDL Number:
MFCD09965535
IUPAC Name:
3-methoxy-2-nitro-4-phenylmethoxybenzonitrile
InChI:
InChI=1S/C15H12N2O4/c1-20-15-13(21-10-11-5-3-2-4-6-11)8-7-12(9-16)14(15)17(18)19/h2-8H,10H2,1H3
InChI Key:
JIBYLEHMPLQLTB-UHFFFAOYSA-N
SMILES:
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C#N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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