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137193-60-3 | 1,4-Benzenediol, 2-chloro-5-sec-hexadecyl-
CAS No: 137193-60-3 Catalog No: AG0012WV MDL No:
Product Description
Catalog Number:
AG0012WV
Chemical Name:
1,4-Benzenediol, 2-chloro-5-sec-hexadecyl-
CAS Number:
137193-60-3
Molecular Formula:
C22H37ClO2
Molecular Weight:
368.9810
IUPAC Name:
2-chloro-5-hexadecan-2-ylbenzene-1,4-diol
InChI:
InChI=1S/C22H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)19-16-22(25)20(23)17-21(19)24/h16-18,24-25H,3-15H2,1-2H3
InChI Key:
BCSYCAJWKGGPRY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(c1cc(O)c(cc1O)Cl)C
EC Number:
407-750-1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.248g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.986g/mol
Monoisotopic Mass:
368.248g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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