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Home > Nitro Compounds > 477847-40-8
477847-40-8 | N-(morpholin-4-yl)-5-nitro-1-benzothiophene-2-carboxamide
CAS No: 477847-40-8 Catalog No: AG00IP09 MDL No:MFCD02082843
Product Description
Catalog Number:
AG00IP09
Chemical Name:
N-(morpholin-4-yl)-5-nitro-1-benzothiophene-2-carboxamide
CAS Number:
477847-40-8
Molecular Formula:
C13H13N3O4S
Molecular Weight:
307.3250
MDL Number:
MFCD02082843
IUPAC Name:
N-morpholin-4-yl-5-nitro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C13H13N3O4S/c17-13(14-15-3-5-20-6-4-15)12-8-9-7-10(16(18)19)1-2-11(9)21-12/h1-2,7-8H,3-6H2,(H,14,17)
InChI Key:
IKNIIUAOVIRWNO-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])NN1CCOCC1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.324g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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