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114168-47-7 | Benzenamine, 2-methoxy-3,5-dinitro-
CAS No: 114168-47-7 Catalog No: AG000AQ4 MDL No:
Product Description
Catalog Number:
AG000AQ4
Chemical Name:
Benzenamine, 2-methoxy-3,5-dinitro-
CAS Number:
114168-47-7
Molecular Formula:
C7H7N3O5
Molecular Weight:
213.1476
IUPAC Name:
2-methoxy-3,5-dinitroaniline
InChI:
InChI=1S/C7H7N3O5/c1-15-7-5(8)2-4(9(11)12)3-6(7)10(13)14/h2-3H,8H2,1H3
InChI Key:
SZBYMOUYGPKBTO-UHFFFAOYSA-N
SMILES:
COc1c(N)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.149g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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