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87549-01-7 | Methanone, [1-(2-chloroethyl)-1H-pyrrol-2-yl]phenyl-
CAS No: 87549-01-7 Catalog No: AG004H21 MDL No:
Product Description
Catalog Number:
AG004H21
Chemical Name:
Methanone, [1-(2-chloroethyl)-1H-pyrrol-2-yl]phenyl-
CAS Number:
87549-01-7
Molecular Formula:
C13H12ClNO
Molecular Weight:
233.6935
IUPAC Name:
[1-(2-chloroethyl)pyrrol-2-yl]-phenylmethanone
InChI:
InChI=1S/C13H12ClNO/c14-8-10-15-9-4-7-12(15)13(16)11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChI Key:
RFBHCHQMNCTPKT-UHFFFAOYSA-N
SMILES:
ClCCn1cccc1C(=O)c1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.695g/mol
Monoisotopic Mass:
233.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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