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115430-77-8 | Ethenamine, N,N-dimethyl-2-(5-nitro-2-thienyl)-
CAS No: 115430-77-8 Catalog No: AG000G00 MDL No:
Product Description
Catalog Number:
AG000G00
Chemical Name:
Ethenamine, N,N-dimethyl-2-(5-nitro-2-thienyl)-
CAS Number:
115430-77-8
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
IUPAC Name:
N,N-dimethyl-2-(5-nitrothiophen-2-yl)ethenamine
InChI:
InChI=1S/C8H10N2O2S/c1-9(2)6-5-7-3-4-8(13-7)10(11)12/h3-6H,1-2H3
InChI Key:
NIJBLPKURVYSNF-UHFFFAOYSA-N
SMILES:
CN(C=Cc1ccc(s1)[N+](=O)[O-])C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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