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Home > Bromides > 1331776-42-1
1331776-42-1 | Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester
CAS No: 1331776-42-1 Catalog No: AG0014D9 MDL No:MFCD29921565
Product Description
Catalog Number:
AG0014D9
Chemical Name:
Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester
CAS Number:
1331776-42-1
Molecular Formula:
C9H15BrO2
Molecular Weight:
235.1182
MDL Number:
MFCD29921565
IUPAC Name:
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3
InChI Key:
BXJXDCCSZTVLTR-UHFFFAOYSA-N
SMILES:
BrCC1CCC(CC1)C(=O)OC
Properties
Complexity:
151
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:
2.3
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