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Home > Aldehydes > 850642-18-1
850642-18-1 | 1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-
CAS No: 850642-18-1 Catalog No: AG004YED MDL No:
Product Description
Catalog Number:
AG004YED
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-
CAS Number:
850642-18-1
Molecular Formula:
C15H16ClNO
Molecular Weight:
261.7466
IUPAC Name:
1-tert-butyl-3-chloro-5-phenylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C15H16ClNO/c1-15(2,3)17-13(9-12(16)14(17)10-18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
NJDUCRAILDBTNL-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)cc(n1C(C)(C)C)c1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.749g/mol
Monoisotopic Mass:
261.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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