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83004-92-6 | Acetic acid, bromo-, 3-methylbutyl ester
CAS No: 83004-92-6 Catalog No: AG004YGV MDL No:
Product Description
Catalog Number:
AG004YGV
Chemical Name:
Acetic acid, bromo-, 3-methylbutyl ester
CAS Number:
83004-92-6
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
3-methylbutyl 2-bromoacetate
InChI:
InChI=1S/C7H13BrO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3
InChI Key:
QHIYUCHMHDAPAT-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCCC(C)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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