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Home > Aldehydes > 893637-94-0
893637-94-0 | [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro-3'-(trifluoromethyl)-
CAS No: 893637-94-0 Catalog No: AG003XLI MDL No:
Product Description
Catalog Number:
AG003XLI
Chemical Name:
[1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro-3'-(trifluoromethyl)-
CAS Number:
893637-94-0
Molecular Formula:
C13H8N2O5
Molecular Weight:
272.2130
IUPAC Name:
3-[4-chloro-3-(trifluoromethyl)phenyl]benzaldehyde
InChI:
InChI=1S/C14H8ClF3O/c15-13-5-4-11(7-12(13)14(16,17)18)10-3-1-2-9(6-10)8-19/h1-8H
InChI Key:
XVANCRNNFMOXFQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.662g/mol
Monoisotopic Mass:
284.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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