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26330-51-8 | Butanoic acid, 2-bromo-3-methyl-, methyl ester
CAS No: 26330-51-8 Catalog No: AG002SRW MDL No:MFCD00798412
Product Description
Catalog Number:
AG002SRW
Chemical Name:
Butanoic acid, 2-bromo-3-methyl-, methyl ester
CAS Number:
26330-51-8
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD00798412
IUPAC Name:
methyl 2-bromo-3-methylbutanoate
InChI:
InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3
InChI Key:
CKDTYRDFEIGXNO-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C)C)Br
NSC Number:
21975
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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