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82772-40-5 | Pentane, 1,1-dichloro-2-methoxy-
CAS No: 82772-40-5 Catalog No: AG004TFO MDL No:
Product Description
Catalog Number:
AG004TFO
Chemical Name:
Pentane, 1,1-dichloro-2-methoxy-
CAS Number:
82772-40-5
Molecular Formula:
C6H12Cl2O
Molecular Weight:
171.0649
IUPAC Name:
1,1-dichloro-2-methoxypentane
InChI:
InChI=1S/C6H12Cl2O/c1-3-4-5(9-2)6(7)8/h5-6H,3-4H2,1-2H3
InChI Key:
IPIVBPQOMSGCOI-UHFFFAOYSA-N
SMILES:
CCCC(C(Cl)Cl)OC
Properties
Complexity:
66.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.061g/mol
Monoisotopic Mass:
170.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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