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114012-40-7 | Butanoyl chloride, 2,2-bis(chloromethyl)-
CAS No: 114012-40-7 Catalog No: AG000AAD MDL No:
Product Description
Catalog Number:
AG000AAD
Chemical Name:
Butanoyl chloride, 2,2-bis(chloromethyl)-
CAS Number:
114012-40-7
Molecular Formula:
C6H9Cl3O
Molecular Weight:
203.4941
IUPAC Name:
2,2-bis(chloromethyl)butanoyl chloride
InChI:
InChI=1S/C6H9Cl3O/c1-2-6(3-7,4-8)5(9)10/h2-4H2,1H3
InChI Key:
SYCZDXISDNISHW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Cl)(CCl)CCl
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.972g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.487g/mol
Monoisotopic Mass:
201.972g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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