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701255-27-8 | 5-Bromo-2-chloro-N-(4-methoxybenzyl)benzamide
CAS No: 701255-27-8 Catalog No: AG003LNE MDL No:MFCD04219846
Product Description
Catalog Number:
AG003LNE
Chemical Name:
5-Bromo-2-chloro-N-(4-methoxybenzyl)benzamide
CAS Number:
701255-27-8
Molecular Formula:
C15H13BrClNO2
Molecular Weight:
354.6262
MDL Number:
MFCD04219846
IUPAC Name:
5-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
InChI:
InChI=1S/C15H13BrClNO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-8-11(16)4-7-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChI Key:
UGBPFPJQRDBYHO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1cc(Br)ccc1Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.982g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.628g/mol
Monoisotopic Mass:
352.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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