200,000+ products from a single source!
sales@angenechem.com
115314-23-3 | 2-Pentyne-1,4-diol, 5-chloro-4-(2,4-dichlorophenyl)-
CAS No: 115314-23-3 Catalog No: AG000GLU MDL No:
Product Description
Catalog Number:
AG000GLU
Chemical Name:
2-Pentyne-1,4-diol, 5-chloro-4-(2,4-dichlorophenyl)-
CAS Number:
115314-23-3
Molecular Formula:
C11H9Cl3O2
Molecular Weight:
279.5470
IUPAC Name:
5-chloro-4-(2,4-dichlorophenyl)pent-2-yne-1,4-diol
InChI:
InChI=1S/C11H9Cl3O2/c12-7-11(16,4-1-5-15)9-3-2-8(13)6-10(9)14/h2-3,6,15-16H,5,7H2
InChI Key:
FNABAHZPVBTUGQ-UHFFFAOYSA-N
SMILES:
OCC#CC(c1ccc(cc1Cl)Cl)(CCl)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.541g/mol
Monoisotopic Mass:
277.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.