Home Halogens 2-(6-chloro-1-benzofuran-3-yl)acetic acid

2-(6-chloro-1-benzofuran-3-yl)acetic acid

CAS No.:
947012-80-8
Catalog Number:
AG01BUTD
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
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Product Description
Catalog Number:
AG01BUTD
Chemical Name:
2-(6-chloro-1-benzofuran-3-yl)acetic acid
CAS Number:
947012-80-8
Molecular Formula:
C10H7ClO3
Molecular Weight:
210.6138
MDL Number:
MFCD11052122
IUPAC Name:
2-(6-chloro-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C10H7ClO3/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5H,3H2,(H,12,13)
InChI Key:
RMJOWIRZNLSJGG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1coc2c1ccc(c2)Cl
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.613g/mol
Monoisotopic Mass:
210.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties