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1378865-28-1 | 4-(4-Chloro-3-fluorophenyl)-1-buten-4-ol
CAS No: 1378865-28-1 Catalog No: AG01FBZM MDL No:
Product Description
Catalog Number:
AG01FBZM
Chemical Name:
4-(4-Chloro-3-fluorophenyl)-1-buten-4-ol
CAS Number:
1378865-28-1
Molecular Formula:
C10H10ClFO
Molecular Weight:
200.6372
IUPAC Name:
1-(4-chloro-3-fluorophenyl)but-3-en-1-ol
InChI:
InChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h2,4-6,10,13H,1,3H2
InChI Key:
QAYPOVGUBDOQFE-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccc(c(c1)F)Cl)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.637g/mol
Monoisotopic Mass:
200.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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