Home Halogens methyl 4-(bromomethyl)oxane-4-carboxylate

methyl 4-(bromomethyl)oxane-4-carboxylate

CAS No.:
1785580-83-7
Catalog Number:
AG01BABI
Molecular Formula:
C8H13BrO3
Molecular Weight:
237.0910
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Product Description
Catalog Number:
AG01BABI
Chemical Name:
methyl 4-(bromomethyl)oxane-4-carboxylate
CAS Number:
1785580-83-7
Molecular Formula:
C8H13BrO3
Molecular Weight:
237.0910
MDL Number:
MFCD28534482
IUPAC Name:
methyl 4-(bromomethyl)oxane-4-carboxylate
InChI:
InChI=1S/C8H13BrO3/c1-11-7(10)8(6-9)2-4-12-5-3-8/h2-6H2,1H3
InChI Key:
BCFIGFPEACJCAX-UHFFFAOYSA-N
SMILES:
BrCC1(CCOCC1)C(=O)OC
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.093g/mol
Monoisotopic Mass:
236.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties