Home Aldehydes 5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde

5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde

CAS No.:
1803567-44-3
Catalog Number:
AG01BDF2
Molecular Formula:
C6H4F3NO
Molecular Weight:
163.0973
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Product Description
Catalog Number:
AG01BDF2
Chemical Name:
5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde
CAS Number:
1803567-44-3
Molecular Formula:
C6H4F3NO
Molecular Weight:
163.0973
MDL Number:
MFCD28505653
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C6H4F3NO/c7-6(8,9)5-1-4(3-11)2-10-5/h1-3,10H
InChI Key:
XNOHUEUZMHMZKO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)C(F)(F)F
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.099g/mol
Monoisotopic Mass:
163.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties