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1187385-72-3 | 4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol
CAS No: 1187385-72-3 Catalog No: AG003K0X MDL No:MFCD12913965
Product Description
Catalog Number:
AG003K0X
Chemical Name:
4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol
CAS Number:
1187385-72-3
Molecular Formula:
C11H10ClFO
Molecular Weight:
212.6479
MDL Number:
MFCD12913965
IUPAC Name:
4-(3-chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C11H10ClFO/c1-11(2,14)7-6-8-4-3-5-9(12)10(8)13/h3-5,14H,1-2H3
InChI Key:
KUQCWTGOKZLVCH-UHFFFAOYSA-N
SMILES:
CC(C#Cc1cccc(c1F)Cl)(O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.648g/mol
Monoisotopic Mass:
212.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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