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1379311-10-0 | 2-(3-Chloro-5-fluorophenyl)-2-propanol
CAS No: 1379311-10-0 Catalog No: AG01FCOL MDL No:
Product Description
Catalog Number:
AG01FCOL
Chemical Name:
2-(3-Chloro-5-fluorophenyl)-2-propanol
CAS Number:
1379311-10-0
Molecular Formula:
C9H10ClFO
Molecular Weight:
188.6265
IUPAC Name:
2-(3-chloro-5-fluorophenyl)propan-2-ol
InChI:
InChI=1S/C9H10ClFO/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3
InChI Key:
ULGQUXUCPJDDLU-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)C(O)(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.626g/mol
Monoisotopic Mass:
188.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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