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870849-49-3 | 2-(2-Fluorophenyl)-2-methylpropanoic acid
CAS No: 870849-49-3 Catalog No: AG004PO0 MDL No:MFCD11036900
Product Description
Catalog Number:
AG004PO0
Chemical Name:
2-(2-Fluorophenyl)-2-methylpropanoic acid
CAS Number:
870849-49-3
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
MDL Number:
MFCD11036900
IUPAC Name:
2-(2-fluorophenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
DCCIKELFJWXVFL-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1F)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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