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19871-39-7 | Benzenamine, 2-methoxy-N-methyl-5-nitro-
CAS No: 19871-39-7 Catalog No: AG002BPK MDL No:
Product Description
Catalog Number:
AG002BPK
Chemical Name:
Benzenamine, 2-methoxy-N-methyl-5-nitro-
CAS Number:
19871-39-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
2-methoxy-N-methyl-5-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-9-7-5-6(10(11)12)3-4-8(7)13-2/h3-5,9H,1-2H3
InChI Key:
NYXQGPQZKJOXJE-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1OC)[N+](=O)[O-]
NSC Number:
99770
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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