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10133-38-7 | Benzo[b]thiophen-3-amine, N,N-diethyl-2-nitro-
CAS No: 10133-38-7 Catalog No: AG00048Q MDL No:
Product Description
Catalog Number:
AG00048Q
Chemical Name:
Benzo[b]thiophen-3-amine, N,N-diethyl-2-nitro-
CAS Number:
10133-38-7
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
N,N-diethyl-2-nitro-1-benzothiophen-3-amine
InChI:
InChI=1S/C12H14N2O2S/c1-3-13(4-2)11-9-7-5-6-8-10(9)17-12(11)14(15)16/h5-8H,3-4H2,1-2H3
InChI Key:
AIJBXJJQUQUSNX-UHFFFAOYSA-N
SMILES:
CCN(c1c(sc2c1cccc2)[N+](=O)[O-])CC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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