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168265-58-5 | Benzamide, 2-bromo-N-[(4-methoxyphenyl)methyl]-
CAS No: 168265-58-5 Catalog No: AG001XYM MDL No:
Product Description
Catalog Number:
AG001XYM
Chemical Name:
Benzamide, 2-bromo-N-[(4-methoxyphenyl)methyl]-
CAS Number:
168265-58-5
Molecular Formula:
C15H14BrNO2
Molecular Weight:
320.1812
IUPAC Name:
2-bromo-N-[(4-methoxyphenyl)methyl]benzamide
InChI:
InChI=1S/C15H14BrNO2/c1-19-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChI Key:
VCMRMZNKDGSLTK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1ccccc1Br
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.186g/mol
Monoisotopic Mass:
319.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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