Home Halogens Methyl 1-bromocyclohexanecarboxylate

Methyl 1-bromocyclohexanecarboxylate

CAS No.:
3196-23-4
Catalog Number:
AG003RK4
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
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Product Description
Catalog Number:
AG003RK4
Chemical Name:
Methyl 1-bromocyclohexanecarboxylate
CAS Number:
3196-23-4
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
MDL Number:
MFCD00134214
IUPAC Name:
methyl 1-bromocyclohexane-1-carboxylate
InChI:
InChI=1S/C8H13BrO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3
InChI Key:
RNWRVPVPLQMTAP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(Br)CCCCC1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.094g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties