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1260809-76-4 | Benzenepropanol, 3-chloro-4,5-difluoro-
CAS No: 1260809-76-4 Catalog No: AG000RD0 MDL No:
Product Description
Catalog Number:
AG000RD0
Chemical Name:
Benzenepropanol, 3-chloro-4,5-difluoro-
CAS Number:
1260809-76-4
Molecular Formula:
C9H9ClF2O
Molecular Weight:
206.6170
IUPAC Name:
3-(3-chloro-4,5-difluorophenyl)propan-1-ol
InChI:
InChI=1S/C9H9ClF2O/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h4-5,13H,1-3H2
InChI Key:
VFPQYBIFFMOITE-UHFFFAOYSA-N
SMILES:
OCCCc1cc(F)c(c(c1)Cl)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.617g/mol
Monoisotopic Mass:
206.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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