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Home > Bromides > 1261956-31-3
1261956-31-3 | Benzoic acid, 3-bromo-5-propoxy-, methyl ester
CAS No: 1261956-31-3 Catalog No: AG000S8O MDL No:MFCD18311870
Product Description
Catalog Number:
AG000S8O
Chemical Name:
Benzoic acid, 3-bromo-5-propoxy-, methyl ester
CAS Number:
1261956-31-3
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD18311870
IUPAC Name:
methyl 3-bromo-5-propoxybenzoate
InChI:
InChI=1S/C11H13BrO3/c1-3-4-15-10-6-8(11(13)14-2)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChI Key:
QFQNYJPSWVVVPI-UHFFFAOYSA-N
SMILES:
CCCOc1cc(Br)cc(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:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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