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119198-20-8 | Benzo[b]thiophene, 2-(chloromethyl)-5-nitro-
CAS No: 119198-20-8 Catalog No: AG000IBT MDL No:
Product Description
Catalog Number:
AG000IBT
Chemical Name:
Benzo[b]thiophene, 2-(chloromethyl)-5-nitro-
CAS Number:
119198-20-8
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
IUPAC Name:
2-(chloromethyl)-5-nitro-1-benzothiophene
InChI:
InChI=1S/C9H6ClNO2S/c10-5-8-4-6-3-7(11(12)13)1-2-9(6)14-8/h1-4H,5H2
InChI Key:
QJSVAGKTWDXHLB-UHFFFAOYSA-N
SMILES:
ClCc1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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