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26464-05-1 | Butanoyl bromide, 2-bromo-3-methyl-
CAS No: 26464-05-1 Catalog No: AG002TCK MDL No:
Product Description
Catalog Number:
AG002TCK
Chemical Name:
Butanoyl bromide, 2-bromo-3-methyl-
CAS Number:
26464-05-1
Molecular Formula:
C5H8Br2O
Molecular Weight:
243.9244
IUPAC Name:
2-bromo-3-methylbutanoyl bromide
InChI:
InChI=1S/C5H8Br2O/c1-3(2)4(6)5(7)8/h3-4H,1-2H3
InChI Key:
HFAUMPWMNPYULN-UHFFFAOYSA-N
SMILES:
BrC(C(=O)Br)C(C)C
EC Number:
247-719-8
Properties
Complexity:
90.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.892g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.926g/mol
Monoisotopic Mass:
241.894g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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