Home Halogens methyl 4-bromooxane-4-carboxylate

methyl 4-bromooxane-4-carboxylate

CAS No.:
1192067-13-2
Catalog Number:
AG01AD53
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
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Product Description
Catalog Number:
AG01AD53
Chemical Name:
methyl 4-bromooxane-4-carboxylate
CAS Number:
1192067-13-2
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
MDL Number:
MFCD26936257
IUPAC Name:
methyl 4-bromooxane-4-carboxylate
InChI:
InChI=1S/C7H11BrO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3
InChI Key:
IRZPHSPDRUMIIN-UHFFFAOYSA-N
SMILES:
COC(=O)C1(Br)CCOCC1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties