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178215-45-7 | Butanoic acid, 4-bromo-, 2-propen-1-yl ester
CAS No: 178215-45-7 Catalog No: AG0025UI MDL No:MFCD02093983
Product Description
Catalog Number:
AG0025UI
Chemical Name:
Butanoic acid, 4-bromo-, 2-propen-1-yl ester
CAS Number:
178215-45-7
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
MDL Number:
MFCD02093983
IUPAC Name:
prop-2-enyl 4-bromobutanoate
InChI:
InChI=1S/C7H11BrO2/c1-2-6-10-7(9)4-3-5-8/h2H,1,3-6H2
InChI Key:
KGXWKENTBDJHOM-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)OCC=C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.067g/mol
Monoisotopic Mass:
205.994g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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