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586-10-7 | 3-Methoxy-5-nitroaniline
CAS No: 586-10-7 Catalog No: AG0037JX MDL No:MFCD01103799
Product Description
Catalog Number:
AG0037JX
Chemical Name:
3-Methoxy-5-nitroaniline
CAS Number:
586-10-7
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD01103799
IUPAC Name:
3-methoxy-5-nitroaniline
InChI:
InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
InChI Key:
BGWUXZLHDLNYHW-UHFFFAOYSA-N
SMILES:
COc1cc(N)cc(c1)[N+](=O)[O-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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