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2941-17-5 | 3-Bromo-2,2-dimethylpropanoyl chloride
CAS No: 2941-17-5 Catalog No: AG01FCTU MDL No:
Product Description
Catalog Number:
AG01FCTU
Chemical Name:
3-Bromo-2,2-dimethylpropanoyl chloride
CAS Number:
2941-17-5
Molecular Formula:
C5H8BrClO
Molecular Weight:
199.4734
IUPAC Name:
3-bromo-2,2-dimethylpropanoyl chloride
InChI:
InChI=1S/C5H8BrClO/c1-5(2,3-6)4(7)8/h3H2,1-2H3
InChI Key:
DYSKAZARRBXDNT-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)Cl)(C)C
NSC Number:
115938
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.945g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.472g/mol
Monoisotopic Mass:
197.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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