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101-52-0 | Benzenamine, 2-methoxy-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 101-52-0 Catalog No: AG0003F8 MDL No:
Product Description
Catalog Number:
AG0003F8
Chemical Name:
Benzenamine, 2-methoxy-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
101-52-0
Molecular Formula:
C13H12N4O3
Molecular Weight:
272.2594
IUPAC Name:
2-methoxy-4-[(4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C13H12N4O3/c1-20-13-8-10(4-7-12(13)14)16-15-9-2-5-11(6-3-9)17(18)19/h2-8H,14H2,1H3
InChI Key:
UXLCBMUEIPAQSZ-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2ccc(cc2)[N+](=O)[O-])ccc1N
EC Number:
202-949-8
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.264g/mol
Monoisotopic Mass:
272.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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