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1247694-85-4 | 3-Chloro-4-iso-pentoxybenzyl alcohol
CAS No: 1247694-85-4 Catalog No: AG01FDG2 MDL No:
Product Description
Catalog Number:
AG01FDG2
Chemical Name:
3-Chloro-4-iso-pentoxybenzyl alcohol
CAS Number:
1247694-85-4
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
[3-chloro-4-(3-methylbutoxy)phenyl]methanol
InChI:
InChI=1S/C12H17ClO2/c1-9(2)5-6-15-12-4-3-10(8-14)7-11(12)13/h3-4,7,9,14H,5-6,8H2,1-2H3
InChI Key:
JNBBEPMBXOEGTB-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)OCCC(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.716g/mol
Monoisotopic Mass:
228.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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