Home Halogens 2,2-bis(chloromethyl)butan-1-ol

2,2-bis(chloromethyl)butan-1-ol

CAS No.:
5381-54-4
Catalog Number:
AG01BEEY
Molecular Formula:
C6H12Cl2O
Molecular Weight:
171.0649
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Product Description
Catalog Number:
AG01BEEY
Chemical Name:
2,2-bis(chloromethyl)butan-1-ol
CAS Number:
5381-54-4
Molecular Formula:
C6H12Cl2O
Molecular Weight:
171.0649
MDL Number:
MFCD20622178
IUPAC Name:
2,2-bis(chloromethyl)butan-1-ol
InChI:
InChI=1S/C6H12Cl2O/c1-2-6(3-7,4-8)5-9/h9H,2-5H2,1H3
InChI Key:
BIFYPMIIDSCISR-UHFFFAOYSA-N
SMILES:
CCC(CCl)(CCl)CO
Properties
Complexity:
71.5  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
171.061g/mol
Monoisotopic Mass:
170.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties