Home Halogens Butanoic acid, 2-bromo-3,3-dimethyl-, methyl ester

Butanoic acid, 2-bromo-3,3-dimethyl-, methyl ester

CAS No.:
16495-40-2
Catalog Number:
AG001V6P
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
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Product Description
Catalog Number:
AG001V6P
Chemical Name:
Butanoic acid, 2-bromo-3,3-dimethyl-, methyl ester
CAS Number:
16495-40-2
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
MDL Number:
MFCD24476606
IUPAC Name:
methyl 2-bromo-3,3-dimethylbutanoate
InChI:
InChI=1S/C7H13BrO2/c1-7(2,3)5(8)6(9)10-4/h5H,1-4H3
InChI Key:
OLCDNKISRYJVQH-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C)(C)C)Br
Properties
Complexity:
126  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties