200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1255574-35-6
1255574-35-6 | Benzoic acid, 3-bromo-5-(2-methylpropoxy)-, methyl ester
CAS No: 1255574-35-6 Catalog No: AG000NUR MDL No:MFCD17926493
Product Description
Catalog Number:
AG000NUR
Chemical Name:
Benzoic acid, 3-bromo-5-(2-methylpropoxy)-, methyl ester
CAS Number:
1255574-35-6
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD17926493
IUPAC Name:
methyl 3-bromo-5-(2-methylpropoxy)benzoate
InChI:
InChI=1S/C12H15BrO3/c1-8(2)7-16-11-5-9(12(14)15-3)4-10(13)6-11/h4-6,8H,7H2,1-3H3
InChI Key:
ILWDNEOAPBNDPA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCC(C)C)cc(c1)Br
Properties
Complexity:
230
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.