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88075-88-1 | 1H-Pyrrole-3-carboxaldehyde, 1-(4-chlorophenyl)-
CAS No: 88075-88-1 Catalog No: AG004KGX MDL No:
Product Description
Catalog Number:
AG004KGX
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(4-chlorophenyl)-
CAS Number:
88075-88-1
Molecular Formula:
C11H8ClNO
Molecular Weight:
205.6403
IUPAC Name:
1-(4-chlorophenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C11H8ClNO/c12-10-1-3-11(4-2-10)13-6-5-9(7-13)8-14/h1-8H
InChI Key:
OFTTZCFUKRMBIB-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)c1ccc(cc1)Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.641g/mol
Monoisotopic Mass:
205.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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