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23694-47-5 | 1H-Pyrrole, 1-[(4-chlorophenyl)methyl]-
CAS No: 23694-47-5 Catalog No: AG002O6T MDL No:MFCD12187033
Product Description
Catalog Number:
AG002O6T
Chemical Name:
1H-Pyrrole, 1-[(4-chlorophenyl)methyl]-
CAS Number:
23694-47-5
Molecular Formula:
C11H10ClN
Molecular Weight:
191.6568
MDL Number:
MFCD12187033
IUPAC Name:
1-[(4-chlorophenyl)methyl]pyrrole
InChI:
InChI=1S/C11H10ClN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h1-8H,9H2
InChI Key:
DOECAUUSROOOOV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1cccc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.658g/mol
Monoisotopic Mass:
191.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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