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115314-21-1 | 2-Pentene-1,4-diol, 5-chloro-4-(2,4-dichlorophenyl)-, (Z)- (9CI)
CAS No: 115314-21-1 Catalog No: AG000GLV MDL No:
Product Description
Catalog Number:
AG000GLV
Chemical Name:
2-Pentene-1,4-diol, 5-chloro-4-(2,4-dichlorophenyl)-, (Z)- (9CI)
CAS Number:
115314-21-1
Molecular Formula:
C11H11Cl3O2
Molecular Weight:
281.5628
IUPAC Name:
5-chloro-4-(2,4-dichlorophenyl)pent-2-ene-1,4-diol
InChI:
InChI=1S/C11H11Cl3O2/c12-7-11(16,4-1-5-15)9-3-2-8(13)6-10(9)14/h1-4,6,15-16H,5,7H2
InChI Key:
LZRQJYAQJZBROX-UHFFFAOYSA-N
SMILES:
OC/C=C\C(c1ccc(cc1Cl)Cl)(CCl)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.557g/mol
Monoisotopic Mass:
279.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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