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286382-24-9 | Benzoic acid, 4-(methoxyamino)-3,5-dinitro-, methyl ester
CAS No: 286382-24-9 Catalog No: AG002VXR MDL No:
Product Description
Catalog Number:
AG002VXR
Chemical Name:
Benzoic acid, 4-(methoxyamino)-3,5-dinitro-, methyl ester
CAS Number:
286382-24-9
Molecular Formula:
C9H9N3O7
Molecular Weight:
271.1837
IUPAC Name:
methyl 4-(methoxyamino)-3,5-dinitrobenzoate
InChI:
InChI=1S/C9H9N3O7/c1-18-9(13)5-3-6(11(14)15)8(10-19-2)7(4-5)12(16)17/h3-4,10H,1-2H3
InChI Key:
PEVNZFDUJCPSQT-UHFFFAOYSA-N
SMILES:
CONc1c(cc(cc1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.185g/mol
Monoisotopic Mass:
271.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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