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26474-92-0 | 2-Thiophenecarboxylic acid, 2-[2-bromo-3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide
CAS No: 26474-92-0 Catalog No: AG002TCN MDL No:
Product Description
Catalog Number:
AG002TCN
Chemical Name:
2-Thiophenecarboxylic acid, 2-[2-bromo-3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide
CAS Number:
26474-92-0
Molecular Formula:
C12H8BrN3O4S
Molecular Weight:
370.1786
IUPAC Name:
N-[[2-bromo-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
InChI:
InChI=1S/C12H8BrN3O4S/c13-8(6-9-3-4-11(20-9)16(18)19)7-14-15-12(17)10-2-1-5-21-10/h1-7H,(H,15,17)
InChI Key:
LLBGXCGNHBQGRS-UHFFFAOYSA-N
SMILES:
BrC(=Cc1ccc(o1)[N+](=O)[O-])C=NNC(=O)c1cccs1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.942g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.177g/mol
Monoisotopic Mass:
368.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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