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102071-77-2 | 1,4-Benzodioxin-2-propanol, 6,7-dichloro-2,3-dihydro-
CAS No: 102071-77-2 Catalog No: AG0006I3 MDL No:
Product Description
Catalog Number:
AG0006I3
Chemical Name:
1,4-Benzodioxin-2-propanol, 6,7-dichloro-2,3-dihydro-
CAS Number:
102071-77-2
Molecular Formula:
C11H12Cl2O3
Molecular Weight:
263.1172
IUPAC Name:
3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol
InChI:
InChI=1S/C11H12Cl2O3/c12-8-4-10-11(5-9(8)13)16-7(6-15-10)2-1-3-14/h4-5,7,14H,1-3,6H2
InChI Key:
DNLXEIUNDQKPHB-UHFFFAOYSA-N
SMILES:
OCCCC1COc2c(O1)cc(c(c2)Cl)Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.114g/mol
Monoisotopic Mass:
262.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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