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588-32-9 | 2-(3-Chlorophenoxy)acetic acid
CAS No: 588-32-9 Catalog No: AG003BRX MDL No:MFCD00015850
Product Description
Catalog Number:
AG003BRX
Chemical Name:
2-(3-Chlorophenoxy)acetic acid
CAS Number:
588-32-9
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00015850
IUPAC Name:
2-(3-chlorophenoxy)acetic acid
InChI:
InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
XSBUXVWJQVTYLC-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1)Cl
EC Number:
209-616-6
UNII:
JXK525064M
NSC Number:
30115
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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