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649727-20-8 | 1H-Pyrrole-3-carbonyl chloride, 1-(1-isoquinolinyl)-4-methyl-
CAS No: 649727-20-8 Catalog No: AG00H7G7 MDL No:
Product Description
Catalog Number:
AG00H7G7
Chemical Name:
1H-Pyrrole-3-carbonyl chloride, 1-(1-isoquinolinyl)-4-methyl-
CAS Number:
649727-20-8
Molecular Formula:
C15H11ClN2O
Molecular Weight:
270.7136
IUPAC Name:
1-isoquinolin-1-yl-4-methylpyrrole-3-carbonyl chloride
InChI:
InChI=1S/C15H11ClN2O/c1-10-8-18(9-13(10)14(16)19)15-12-5-3-2-4-11(12)6-7-17-15/h2-9H,1H3
InChI Key:
GQBLWWJTIWFOBQ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cn(cc1C)c1nccc2c1cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.716g/mol
Monoisotopic Mass:
270.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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