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113569-09-8

113569-09-8 | 4-Heptanol, 2,6-dichloro-

CAS No: 113569-09-8 Catalog No: AG00090A MDL No:

Product Description

Catalog Number:
AG00090A
Chemical Name:
4-Heptanol, 2,6-dichloro-
CAS Number:
113569-09-8
Molecular Formula:
C7H14Cl2O
Molecular Weight:
185.0915
IUPAC Name:
2,6-dichloroheptan-4-ol
InChI:
InChI=1S/C7H14Cl2O/c1-5(8)3-7(10)4-6(2)9/h5-7,10H,3-4H2,1-2H3
InChI Key:
DKVCEQNCIARGFK-UHFFFAOYSA-N
SMILES:
OC(CC(Cl)C)CC(Cl)C

Properties

Complexity:
77.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.088g/mol
Monoisotopic Mass:
184.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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