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162334-97-6 | Formamide, N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-
CAS No: 162334-97-6 Catalog No: AG001T1B MDL No:
Product Description
Catalog Number:
AG001T1B
Chemical Name:
Formamide, N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-
CAS Number:
162334-97-6
Molecular Formula:
C17H17Br2NO4
Molecular Weight:
459.1292
IUPAC Name:
N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]formamide
InChI:
InChI=1S/C17H17Br2NO4/c1-24-17-8-13(18)12(7-16(17)23)9-20(10-21)5-4-11-2-3-15(22)14(19)6-11/h2-3,6-8,10,22-23H,4-5,9H2,1H3
InChI Key:
CKEYUZMSEQUVIP-UHFFFAOYSA-N
SMILES:
O=CN(Cc1cc(O)c(cc1Br)OC)CCc1ccc(c(c1)Br)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.95g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.134g/mol
Monoisotopic Mass:
456.952g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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