Home Halogens methyl 3-(4-bromobutoxy)benzoate

methyl 3-(4-bromobutoxy)benzoate

CAS No.:
486396-41-2
Catalog Number:
AG01A5VA
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
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Product Description
Catalog Number:
AG01A5VA
Chemical Name:
methyl 3-(4-bromobutoxy)benzoate
CAS Number:
486396-41-2
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD12192961
IUPAC Name:
methyl 3-(4-bromobutoxy)benzoate
InChI:
InChI=1S/C12H15BrO3/c1-15-12(14)10-5-4-6-11(9-10)16-8-3-2-7-13/h4-6,9H,2-3,7-8H2,1H3
InChI Key:
SAIREJQHCVPLLS-UHFFFAOYSA-N
SMILES:
BrCCCCOc1cccc(c1)C(=O)OC
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties