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2059947-64-5 | 3-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 2059947-64-5 Catalog No: AG01BPA0 MDL No:MFCD30500004
Product Description
Catalog Number:
AG01BPA0
Chemical Name:
3-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
2059947-64-5
Molecular Formula:
C12H10ClNO
Molecular Weight:
219.6669
MDL Number:
MFCD30500004
IUPAC Name:
3-(4-chlorophenyl)-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H10ClNO/c1-14-7-6-11(12(14)8-15)9-2-4-10(13)5-3-9/h2-8H,1H3
InChI Key:
RGAAETUPCYRVFL-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1ccc(cc1)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.668g/mol
Monoisotopic Mass:
219.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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