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1173019-42-5 | RAC CARPROFEN-D3
CAS No: 1173019-42-5 Catalog No: AG000E2Q MDL No:
Product Description
Catalog Number:
AG000E2Q
Chemical Name:
RAC CARPROFEN-D3
CAS Number:
1173019-42-5
Molecular Formula:
C15H9ClD3NO2
Molecular Weight:
276.7328
IUPAC Name:
2-(6-chloro-9H-carbazol-2-yl)-3,3,3-trideuteriopropanoic acid
InChI:
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/i1D3
InChI Key:
PUXBGTOOZJQSKH-FIBGUPNXSA-N
SMILES:
OC(=O)C(C([2H])([2H])[2H])c1ccc2c(c1)[nH]c1c2cc(cc1)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
276.734g/mol
Monoisotopic Mass:
276.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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