Home Halogens methyl 1-bromocycloheptane-1-carboxylate

methyl 1-bromocycloheptane-1-carboxylate

CAS No.:
1065573-86-5
Catalog Number:
AG01ACH3
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
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Product Description
Catalog Number:
AG01ACH3
Chemical Name:
methyl 1-bromocycloheptane-1-carboxylate
CAS Number:
1065573-86-5
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
MDL Number:
MFCD26407983
IUPAC Name:
methyl 1-bromocycloheptane-1-carboxylate
InChI:
InChI=1S/C9H15BrO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7H2,1H3
InChI Key:
BPVHRCYHCSMZCD-UHFFFAOYSA-N
SMILES:
COC(=O)C1(Br)CCCCCC1
Properties
Complexity:
160  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties