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71215-43-5 | Acetic acid, bromo-, 3-methyl-2-butenyl ester
CAS No: 71215-43-5 Catalog No: AG005K9B MDL No:
Product Description
Catalog Number:
AG005K9B
Chemical Name:
Acetic acid, bromo-, 3-methyl-2-butenyl ester
CAS Number:
71215-43-5
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
IUPAC Name:
3-methylbut-2-enyl 2-bromoacetate
InChI:
InChI=1S/C7H11BrO2/c1-6(2)3-4-10-7(9)5-8/h3H,4-5H2,1-2H3
InChI Key:
QIKXYEODKRVGDF-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCC=C(C)C
Properties
Complexity:
137
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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