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203071-48-1 | Benzeneacetic acid, 4-(3-bromopropoxy)-, methyl ester
CAS No: 203071-48-1 Catalog No: AG0028NK MDL No:MFCD08447918
Product Description
Catalog Number:
AG0028NK
Chemical Name:
Benzeneacetic acid, 4-(3-bromopropoxy)-, methyl ester
CAS Number:
203071-48-1
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
MDL Number:
MFCD08447918
IUPAC Name:
methyl 2-[4-(3-bromopropoxy)phenyl]acetate
InChI:
InChI=1S/C12H15BrO3/c1-15-12(14)9-10-3-5-11(6-4-10)16-8-2-7-13/h3-6H,2,7-9H2,1H3
InChI Key:
RCJIDBYQEBHGTE-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)CC(=O)OC
Properties
Complexity:
200
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:
2.8
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