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Home > Aldehydes > 156496-70-7
156496-70-7 | 1H-Pyrrole-2-carboxaldehyde, 1-[4-(trifluoromethyl)phenyl]-
CAS No: 156496-70-7 Catalog No: AG001OQZ MDL No:MFCD01567130
Product Description
Catalog Number:
AG001OQZ
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-[4-(trifluoromethyl)phenyl]-
CAS Number:
156496-70-7
Molecular Formula:
C12H8F3NO
Molecular Weight:
239.1932
MDL Number:
MFCD01567130
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H8F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-7-1-2-11(16)8-17/h1-8H
InChI Key:
FGKJQSVGKXECDA-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1ccc(cc1)C(F)(F)F
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.197g/mol
Monoisotopic Mass:
239.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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