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1250789-86-6 | 3-Chloro-4-n-pentoxybenzyl alcohol
CAS No: 1250789-86-6 Catalog No: AG01FE43 MDL No:
Product Description
Catalog Number:
AG01FE43
Chemical Name:
3-Chloro-4-n-pentoxybenzyl alcohol
CAS Number:
1250789-86-6
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
(3-chloro-4-pentoxyphenyl)methanol
InChI:
InChI=1S/C12H17ClO2/c1-2-3-4-7-15-12-6-5-10(9-14)8-11(12)13/h5-6,8,14H,2-4,7,9H2,1H3
InChI Key:
YOMNPMQARMHMLT-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)CO
Properties
Complexity:
164
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:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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