Home Halogens Ethanone, 2-chloro-1-(1H-pyrrol-2-yl)- (9CI)

Ethanone, 2-chloro-1-(1H-pyrrol-2-yl)- (9CI)

CAS No.:
53391-62-1
Catalog Number:
AG00DIF9
Molecular Formula:
C6H6ClNO
Molecular Weight:
143.5709
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Product Description
Catalog Number:
AG00DIF9
Chemical Name:
Ethanone, 2-chloro-1-(1H-pyrrol-2-yl)- (9CI)
CAS Number:
53391-62-1
Molecular Formula:
C6H6ClNO
Molecular Weight:
143.5709
MDL Number:
MFCD00188580
IUPAC Name:
2-chloro-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C6H6ClNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChI Key:
QWNLFQDHVIUYBL-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc[nH]1
NSC Number:
81356
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.014g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.57g/mol
Monoisotopic Mass:
143.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties