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881909-58-6 | Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate
CAS No: 881909-58-6 Catalog No: AG003RUG MDL No:MFCD12827830
Product Description
Catalog Number:
AG003RUG
Chemical Name:
Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate
CAS Number:
881909-58-6
Molecular Formula:
C15H14BrNO3
Molecular Weight:
336.1806
MDL Number:
MFCD12827830
IUPAC Name:
methyl 4-amino-3-bromo-5-phenylmethoxybenzoate
InChI:
InChI=1S/C15H14BrNO3/c1-19-15(18)11-7-12(16)14(17)13(8-11)20-9-10-5-3-2-4-6-10/h2-8H,9,17H2,1H3
InChI Key:
JUCFKDDNGJOJPC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCc2ccccc2)c(c(c1)Br)N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.185g/mol
Monoisotopic Mass:
335.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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