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Home > Nitro Compounds > 409109-09-7
409109-09-7 | 5-nitro-N-(prop-2-en-1-yl)-1-benzothiophene-2-carboxamide
CAS No: 409109-09-7 Catalog No: AG00ISY2 MDL No:MFCD02082945
Product Description
Catalog Number:
AG00ISY2
Chemical Name:
5-nitro-N-(prop-2-en-1-yl)-1-benzothiophene-2-carboxamide
CAS Number:
409109-09-7
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
MDL Number:
MFCD02082945
IUPAC Name:
5-nitro-N-prop-2-enyl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C12H10N2O3S/c1-2-5-13-12(15)11-7-8-6-9(14(16)17)3-4-10(8)18-11/h2-4,6-7H,1,5H2,(H,13,15)
InChI Key:
OYADQHHCYBXIQW-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.283g/mol
Monoisotopic Mass:
262.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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