Home Carbonyls 3-Benzofurancarbonylchloride

3-Benzofurancarbonylchloride

CAS No.:
111964-21-7
Catalog Number:
AG0083SM
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
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Product Description
Catalog Number:
AG0083SM
Chemical Name:
3-Benzofurancarbonylchloride
CAS Number:
111964-21-7
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
MDL Number:
MFCD11841066
IUPAC Name:
1-benzofuran-3-carbonyl chloride
InChI:
InChI=1S/C9H5ClO2/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
YUHWSRVMUQSCNL-UHFFFAOYSA-N
SMILES:
ClC(=O)c1coc2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.998g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.587g/mol
Monoisotopic Mass:
179.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties