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20201-39-2 | Butanoic acid, 2-bromo-3,3-dimethyl-, ethyl ester
CAS No: 20201-39-2 Catalog No: AG00280V MDL No:MFCD00068976
Product Description
Catalog Number:
AG00280V
Chemical Name:
Butanoic acid, 2-bromo-3,3-dimethyl-, ethyl ester
CAS Number:
20201-39-2
Molecular Formula:
C8H15BrO2
Molecular Weight:
223.1075
MDL Number:
MFCD00068976
IUPAC Name:
ethyl 2-bromo-3,3-dimethylbutanoate
InChI:
InChI=1S/C8H15BrO2/c1-5-11-7(10)6(9)8(2,3)4/h6H,5H2,1-4H3
InChI Key:
HBNCQAOQAWZUPO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C)(C)C)Br
NSC Number:
21373
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.11g/mol
Monoisotopic Mass:
222.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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