200,000+ products from a single source!
sales@angenechem.com
85614-45-5 | 1-Butanone,4-chloro-1-(2,4,6-trihydroxyphenyl)-
CAS No: 85614-45-5 Catalog No: AG004Q7X MDL No:
Product Description
Catalog Number:
AG004Q7X
Chemical Name:
1-Butanone,4-chloro-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
85614-45-5
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
IUPAC Name:
4-chloro-1-(2,4,6-trihydroxyphenyl)butan-1-one
InChI:
InChI=1S/C10H11ClO4/c11-3-1-2-7(13)10-8(14)4-6(12)5-9(10)15/h4-5,12,14-15H,1-3H2
InChI Key:
PNKGFYFCYXMKCN-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)c1c(O)cc(cc1O)O
EC Number:
287-931-8
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.644g/mol
Monoisotopic Mass:
230.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.