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26074-52-2 | Butanoyl bromide, 2-bromo-
CAS No: 26074-52-2 Catalog No: AG002RL0 MDL No:MFCD00000154
Product Description
Catalog Number:
AG002RL0
Chemical Name:
Butanoyl bromide, 2-bromo-
CAS Number:
26074-52-2
Molecular Formula:
C4H6Br2O
Molecular Weight:
229.8978
MDL Number:
MFCD00000154
IUPAC Name:
2-bromobutanoyl bromide
InChI:
InChI=1S/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3
InChI Key:
HHKDBXNYWNUHPL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Br)Br
EC Number:
247-441-7
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.876g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.899g/mol
Monoisotopic Mass:
227.879g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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