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20357-28-2 | 2-Propenoic acid, 3-(5-chloro-2-nitrophenyl)-
CAS No: 20357-28-2 Catalog No: AG0028ZM MDL No:
Product Description
Catalog Number:
AG0028ZM
Chemical Name:
2-Propenoic acid, 3-(5-chloro-2-nitrophenyl)-
CAS Number:
20357-28-2
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
IUPAC Name:
(E)-3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6ClNO4/c10-7-2-3-8(11(14)15)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key:
PXHIUBAKYZFXKE-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1cc(Cl)ccc1[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.6g/mol
Monoisotopic Mass:
226.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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