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129540-25-6 | 2H-Pyrrole, 5-(2-chlorophenyl)-3,4-dihydro-
CAS No: 129540-25-6 Catalog No: AG000Z6V MDL No:MFCD09037875
Product Description
Catalog Number:
AG000Z6V
Chemical Name:
2H-Pyrrole, 5-(2-chlorophenyl)-3,4-dihydro-
CAS Number:
129540-25-6
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD09037875
IUPAC Name:
5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C10H10ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5H,3,6-7H2
InChI Key:
LRSMQEJORMBCBW-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C1=NCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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