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Home > Nitro Compounds > 7595-31-5
7595-31-5 | 4,5-Dimethoxy-2-nitroaniline
CAS No: 7595-31-5 Catalog No: AG005GZF MDL No:MFCD00087550
Product Description
Catalog Number:
AG005GZF
Chemical Name:
4,5-Dimethoxy-2-nitroaniline
CAS Number:
7595-31-5
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
MDL Number:
MFCD00087550
IUPAC Name:
4,5-dimethoxy-2-nitroaniline
InChI:
InChI=1S/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3
InChI Key:
LDAJFLKWQVYIFG-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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