Home Other Building Blocks 1-(3-CHLOROTHIOPHEN-2-YL)PROPAN-1-ONE

1-(3-CHLOROTHIOPHEN-2-YL)PROPAN-1-ONE

CAS No.:
1531658-69-1
Catalog Number:
AG01BHWA
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
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Product Description
Catalog Number:
AG01BHWA
Chemical Name:
1-(3-CHLOROTHIOPHEN-2-YL)PROPAN-1-ONE
CAS Number:
1531658-69-1
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
MDL Number:
MFCD23925310
IUPAC Name:
1-(3-chlorothiophen-2-yl)propan-1-one
InChI:
InChI=1S/C7H7ClOS/c1-2-6(9)7-5(8)3-4-10-7/h3-4H,2H2,1H3
InChI Key:
XMICKSYLNWDKFF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1sccc1Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.991g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.642g/mol
Monoisotopic Mass:
173.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties