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2059970-90-8 | 1-methyl-3-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carbaldehyde
CAS No: 2059970-90-8 Catalog No: AG01BPA1 MDL No:MFCD30500005
Product Description
Catalog Number:
AG01BPA1
Chemical Name:
1-methyl-3-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carbaldehyde
CAS Number:
2059970-90-8
Molecular Formula:
C13H10F3NO
Molecular Weight:
253.2198
MDL Number:
MFCD30500005
IUPAC Name:
1-methyl-3-[2-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H10F3NO/c1-17-7-6-10(12(17)8-18)9-4-2-3-5-11(9)13(14,15)16/h2-8H,1H3
InChI Key:
AHSRYHJKJYVOHD-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1ccccc1C(F)(F)F
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.224g/mol
Monoisotopic Mass:
253.071g/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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