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Home > Nitro Compounds > 88345-12-4
88345-12-4 | 2-Furancarboxamide, N-[(2-chloro-3-nitro-4-phenoxyphenyl)sulfonyl]-
CAS No: 88345-12-4 Catalog No: AG0046OP MDL No:
Product Description
Catalog Number:
AG0046OP
Chemical Name:
2-Furancarboxamide, N-[(2-chloro-3-nitro-4-phenoxyphenyl)sulfonyl]-
CAS Number:
88345-12-4
Molecular Formula:
C17H11ClN2O7S
Molecular Weight:
422.7964
IUPAC Name:
N-(2-chloro-3-nitro-4-phenoxyphenyl)sulfonylfuran-2-carboxamide
InChI:
InChI=1S/C17H11ClN2O7S/c18-15-14(28(24,25)19-17(21)13-7-4-10-26-13)9-8-12(16(15)20(22)23)27-11-5-2-1-3-6-11/h1-10H,(H,19,21)
InChI Key:
FZMRFKDTNVRIEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1Cl)S(=O)(=O)NC(=O)c1ccco1)Oc1ccccc1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.998g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.792g/mol
Monoisotopic Mass:
421.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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