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14180-03-1 | 2-Propanol, 1,1'-[1,4-butanediylbis(oxy)]bis[3-chloro- (9CI)
CAS No: 14180-03-1 Catalog No: AG001H7R MDL No:
Product Description
Catalog Number:
AG001H7R
Chemical Name:
2-Propanol, 1,1'-[1,4-butanediylbis(oxy)]bis[3-chloro- (9CI)
CAS Number:
14180-03-1
Molecular Formula:
C10H20Cl2O4
Molecular Weight:
275.1694
IUPAC Name:
1-chloro-3-[4-(3-chloro-2-hydroxypropoxy)butoxy]propan-2-ol
InChI:
InChI=1S/C10H20Cl2O4/c11-5-9(13)7-15-3-1-2-4-16-8-10(14)6-12/h9-10,13-14H,1-8H2
InChI Key:
UWVRHRVXGVKDHZ-UHFFFAOYSA-N
SMILES:
ClCC(COCCCCOCC(CCl)O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.166g/mol
Monoisotopic Mass:
274.074g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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