Home Halogens methyl 3-bromo-5-(methoxymethyl)benzoate

methyl 3-bromo-5-(methoxymethyl)benzoate

CAS No.:
1536222-27-1
Catalog Number:
AG01C0IH
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
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Product Description
Catalog Number:
AG01C0IH
Chemical Name:
methyl 3-bromo-5-(methoxymethyl)benzoate
CAS Number:
1536222-27-1
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD24107081
IUPAC Name:
methyl 3-bromo-5-(methoxymethyl)benzoate
InChI:
InChI=1S/C10H11BrO3/c1-13-6-7-3-8(10(12)14-2)5-9(11)4-7/h3-5H,6H2,1-2H3
InChI Key:
JACMPGATCDNDAD-UHFFFAOYSA-N
SMILES:
COCc1cc(Br)cc(c1)C(=O)OC
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties