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Home > Aldehydes > 128887-03-6
128887-03-6 | 1H-Pyrrole-3-carboxaldehyde, 1-methyl-5-(trifluoroacetyl)- (9CI)
CAS No: 128887-03-6 Catalog No: AG00AHUL MDL No:
Product Description
Catalog Number:
AG00AHUL
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-methyl-5-(trifluoroacetyl)- (9CI)
CAS Number:
128887-03-6
IUPAC Name:
1-methyl-5-(2,2,2-trifluoroacetyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C8H6F3NO2/c1-12-3-5(4-13)2-6(12)7(14)8(9,10)11/h2-4H,1H3
InChI Key:
RPBIKALRDWRLFU-UHFFFAOYSA-N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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