Home Nitros 4-Chloro-3-nitrocinnamic acid

4-Chloro-3-nitrocinnamic acid

CAS No.:
20797-48-2
Catalog Number:
AG002JDN
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$52
- +
5g
≥98% (HPLC)
1 week
United States
$76
- +
25g
≥98% (HPLC)
1 week
United States
$205
- +
100g
≥98% (HPLC)
1 week
United States
$598
- +
Product Description
Catalog Number:
AG002JDN
Chemical Name:
4-Chloro-3-nitrocinnamic acid
CAS Number:
20797-48-2
Molecular Formula:
C9H6ClNO4
Molecular Weight:
227.6012
MDL Number:
MFCD00063311
IUPAC Name:
(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChI Key:
QBDALTIMHOITIU-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1)[N+](=O)[O-])Cl
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  
Properties