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1308676-67-6 | 5-(1-Chloroethyl)-6-nitro-2H-1,3-benzodioxole
CAS No: 1308676-67-6 Catalog No: AG01FN4B MDL No:MFCD18917540
Product Description
Catalog Number:
AG01FN4B
Chemical Name:
5-(1-Chloroethyl)-6-nitro-2H-1,3-benzodioxole
CAS Number:
1308676-67-6
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD18917540
IUPAC Name:
5-(1-chloroethyl)-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C9H8ClNO4/c1-5(10)6-2-8-9(15-4-14-8)3-7(6)11(12)13/h2-3,5H,4H2,1H3
InChI Key:
OMPQSHASYDBYHK-UHFFFAOYSA-N
SMILES:
CC(c1cc2OCOc2cc1[N+](=O)[O-])Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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