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127312-04-3 | Hydroxylamine, O-[(3,5-dinitrophenyl)methyl]-, hydrochloride (1:1)
CAS No: 127312-04-3 Catalog No: AG000WXA MDL No:
Product Description
Catalog Number:
AG000WXA
Chemical Name:
Hydroxylamine, O-[(3,5-dinitrophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
127312-04-3
Molecular Formula:
C7H8ClN3O5
Molecular Weight:
249.6085
IUPAC Name:
O-[(3,5-dinitrophenyl)methyl]hydroxylamine;hydrochloride
InChI:
InChI=1S/C7H7N3O5.ClH/c8-15-4-5-1-6(9(11)12)3-7(2-5)10(13)14;/h1-3H,4,8H2;1H
InChI Key:
XTEHSFDESUDUCU-UHFFFAOYSA-N
SMILES:
NOCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.607g/mol
Monoisotopic Mass:
249.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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