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Home > Nitro Compounds > 74458-91-6
74458-91-6 | Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-2-methyl-3-nitro-
CAS No: 74458-91-6 Catalog No: AG005KZF MDL No:
Product Description
Catalog Number:
AG005KZF
Chemical Name:
Benzo[b]thiophen-4(5H)-one, 6,7-dihydro-2-methyl-3-nitro-
CAS Number:
74458-91-6
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
2-methyl-3-nitro-6,7-dihydro-5H-1-benzothiophen-4-one
InChI:
InChI=1S/C9H9NO3S/c1-5-9(10(12)13)8-6(11)3-2-4-7(8)14-5/h2-4H2,1H3
InChI Key:
KBIRKTKXMPHBBP-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c([N+](=O)[O-])c(s2)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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