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Home > Nitro Compounds > 303758-98-7
303758-98-7 | (1E)-1-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitrophenyl)methanimine
CAS No: 303758-98-7 Catalog No: AG00IU4O MDL No:MFCD00812655
Product Description
Catalog Number:
AG00IU4O
Chemical Name:
(1E)-1-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitrophenyl)methanimine
CAS Number:
303758-98-7
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
MDL Number:
MFCD00812655
IUPAC Name:
1-(3,4-dimethoxyphenyl)-N-(2-methyl-5-nitrophenyl)methanimine
InChI:
InChI=1S/C16H16N2O4/c1-11-4-6-13(18(19)20)9-14(11)17-10-12-5-7-15(21-2)16(8-12)22-3/h4-10H,1-3H3
InChI Key:
PDIQEQBIOBNTHV-UHFFFAOYSA-N
SMILES:
COc1cc(/C=N/c2cc(ccc2C)[N+](=O)[O-])ccc1OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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