Home Halogens methyl 1-(bromomethyl)cyclohexane-1-carboxylate

methyl 1-(bromomethyl)cyclohexane-1-carboxylate

CAS No.:
1195430-98-8
Catalog Number:
AG01BC6O
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
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Product Description
Catalog Number:
AG01BC6O
Chemical Name:
methyl 1-(bromomethyl)cyclohexane-1-carboxylate
CAS Number:
1195430-98-8
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
MDL Number:
MFCD18207650
IUPAC Name:
methyl 1-(bromomethyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C9H15BrO2/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-7H2,1H3
InChI Key:
TWFWEWQJXCQERH-UHFFFAOYSA-N
SMILES:
BrCC1(CCCCC1)C(=O)OC
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.121g/mol
Monoisotopic Mass:
234.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties