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1305320-66-4 | 1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-4-(3-iodophenyl)-1,2-dimethyl-
CAS No: 1305320-66-4 Catalog No: AG000UL1 MDL No:MFCD18911727
Product Description
Catalog Number:
AG000UL1
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-4-(3-iodophenyl)-1,2-dimethyl-
CAS Number:
1305320-66-4
Molecular Formula:
C19H15ClINO2
Molecular Weight:
451.6854
MDL Number:
MFCD18911727
IUPAC Name:
5-(4-chlorophenyl)-4-(3-iodophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C19H15ClINO2/c1-11-16(19(23)24)17(13-4-3-5-15(21)10-13)18(22(11)2)12-6-8-14(20)9-7-12/h3-10H,1-2H3,(H,23,24)
InChI Key:
JJCGFEKHEVDOKO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(c2cccc(c2)I)c(c(n1C)C)C(=O)O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.984g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.688g/mol
Monoisotopic Mass:
450.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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