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Home Nitros 2-Propenoic acid, 3-[3-nitro-4-(2-pyridinylthio)phenyl]-

2-Propenoic acid, 3-[3-nitro-4-(2-pyridinylthio)phenyl]-

CAS No.:
175278-56-5
Catalog Number:
AG0020V1
Molecular Formula:
C14H10N2O4S
Molecular Weight:
302.3052
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Product Description
Catalog Number:
AG0020V1
Chemical Name:
2-Propenoic acid, 3-[3-nitro-4-(2-pyridinylthio)phenyl]-
CAS Number:
175278-56-5
Molecular Formula:
C14H10N2O4S
Molecular Weight:
302.3052
MDL Number:
MFCD00173720
IUPAC Name:
(E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C14H10N2O4S/c17-14(18)7-5-10-4-6-12(11(9-10)16(19)20)21-13-3-1-2-8-15-13/h1-9H,(H,17,18)/b7-5+
InChI Key:
NXEAFENRUYAQEV-FNORWQNLSA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1)[N+](=O)[O-])Sc1ccccn1
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
302.036g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.304g/mol
Monoisotopic Mass:
302.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties