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14440-47-2 | Acetic acid, 2-(4-chloro-2-formylphenoxy)-
CAS No: 14440-47-2 Catalog No: AG001JGO MDL No:MFCD01743493
Product Description
Catalog Number:
AG001JGO
Chemical Name:
Acetic acid, 2-(4-chloro-2-formylphenoxy)-
CAS Number:
14440-47-2
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD01743493
IUPAC Name:
2-(4-chloro-2-formylphenoxy)acetic acid
InChI:
InChI=1S/C9H7ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
InChI Key:
VXVIICNFYDEOJG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1OCC(=O)O
EC Number:
238-416-1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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