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DICLOFENAC-D4

CAS No.:
153466-65-0
Catalog Number:
AG00AB3G
Molecular Formula:
C14H7Cl2D4NO2
Molecular Weight:
300.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99%
1 week
United States
$332
- +
Product Description
Catalog Number:
AG00AB3G
Chemical Name:
DICLOFENAC-D4
CAS Number:
153466-65-0
Molecular Formula:
C14H7Cl2D4NO2
Molecular Weight:
300.1733
MDL Number:
MFCD06658788
IUPAC Name:
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
InChI:
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/i1D,2D,4D,7D
InChI Key:
DCOPUUMXTXDBNB-SCFZSLNVSA-N
SMILES:
OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)c([2H])c(c(c1[2H])[2H])[2H]
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.042g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Molecular Weight:
300.171g/mol
Monoisotopic Mass:
299.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties