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20440-91-9 | Benzenamine, N,N-bis(4-methoxyphenyl)-4-nitro-
CAS No: 20440-91-9 Catalog No: AG0029HA MDL No:MFCD13185882
Product Description
Catalog Number:
AG0029HA
Chemical Name:
Benzenamine, N,N-bis(4-methoxyphenyl)-4-nitro-
CAS Number:
20440-91-9
Molecular Formula:
C20H18N2O4
Molecular Weight:
350.3679
MDL Number:
MFCD13185882
IUPAC Name:
N,N-bis(4-methoxyphenyl)-4-nitroaniline
InChI:
InChI=1S/C20H18N2O4/c1-25-19-11-7-16(8-12-19)21(17-9-13-20(26-2)14-10-17)15-3-5-18(6-4-15)22(23)24/h3-14H,1-2H3
InChI Key:
IRTXFNPBVZYVOU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.374g/mol
Monoisotopic Mass:
350.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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