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1272756-12-3 | Benzoic acid, 2-(carboxymethoxy)-4-fluoro-
CAS No: 1272756-12-3 Catalog No: AG000WV3 MDL No:MFCD18651703
Product Description
Catalog Number:
AG000WV3
Chemical Name:
Benzoic acid, 2-(carboxymethoxy)-4-fluoro-
CAS Number:
1272756-12-3
Molecular Formula:
C9H7FO5
Molecular Weight:
214.1473
MDL Number:
MFCD18651703
IUPAC Name:
2-(carboxymethoxy)-4-fluorobenzoic acid
InChI:
InChI=1S/C9H7FO5/c10-5-1-2-6(9(13)14)7(3-5)15-4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14)
InChI Key:
ZPFRPPABXMLDLB-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(F)ccc1C(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.148g/mol
Monoisotopic Mass:
214.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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