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35615-97-5 | Methyl 4-bromo-1-naphthoate
CAS No: 35615-97-5 Catalog No: AG003RUO MDL No:MFCD09475914
Product Description
Catalog Number:
AG003RUO
Chemical Name:
Methyl 4-bromo-1-naphthoate
CAS Number:
35615-97-5
Molecular Formula:
C12H9BrO2
Molecular Weight:
265.1027
MDL Number:
MFCD09475914
IUPAC Name:
methyl 4-bromonaphthalene-1-carboxylate
InChI:
InChI=1S/C12H9BrO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3
InChI Key:
NSWYFJWAOXYZDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cccc2)Br
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.106g/mol
Monoisotopic Mass:
263.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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