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15862-98-3 | 1,3-Benzodioxole, 5-(chloromethyl)-6-nitro-
CAS No: 15862-98-3 Catalog No: AG001QE3 MDL No:
Product Description
Catalog Number:
AG001QE3
Chemical Name:
1,3-Benzodioxole, 5-(chloromethyl)-6-nitro-
CAS Number:
15862-98-3
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
IUPAC Name:
5-(chloromethyl)-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C8H6ClNO4/c9-3-5-1-7-8(14-4-13-7)2-6(5)10(11)12/h1-2H,3-4H2
InChI Key:
MBCUJSFNUKRGRE-UHFFFAOYSA-N
SMILES:
ClCc1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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