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76693-73-7 | Butanoic acid, 2-bromo-3-methyl-, 1,1-dimethylethyl ester, (R)-
CAS No: 76693-73-7 Catalog No: AG005J4F MDL No:
Product Description
Catalog Number:
AG005J4F
Chemical Name:
Butanoic acid, 2-bromo-3-methyl-, 1,1-dimethylethyl ester, (R)-
CAS Number:
76693-73-7
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
IUPAC Name:
tert-butyl (2R)-2-bromo-3-methylbutanoate
InChI:
InChI=1S/C9H17BrO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,1-5H3/t7-/m1/s1
InChI Key:
KNIZFFZJAVQDNV-SSDOTTSWSA-N
SMILES:
CC([C@H](C(=O)OC(C)(C)C)Br)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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