Home Halogens Methyl 3-bromo-4-butoxybenzoate

Methyl 3-bromo-4-butoxybenzoate

CAS No.:
1131594-29-0
Catalog Number:
AG00HCK3
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
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Product Description
Catalog Number:
AG00HCK3
Chemical Name:
Methyl 3-bromo-4-butoxybenzoate
CAS Number:
1131594-29-0
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD11113006
IUPAC Name:
methyl 3-bromo-4-butoxybenzoate
InChI:
InChI=1S/C12H15BrO3/c1-3-4-7-16-11-6-5-9(8-10(11)13)12(14)15-2/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
KIRZMPZMKKYMBE-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Br)C(=O)OC
Properties
Complexity:
220  
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:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties