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122584-18-3 | Formamide, N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-
CAS No: 122584-18-3 Catalog No: AG0017HJ MDL No:MFCD08694506
Product Description
Catalog Number:
AG0017HJ
Chemical Name:
Formamide, N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-
CAS Number:
122584-18-3
Molecular Formula:
C17H18BrNO4
Molecular Weight:
380.2331
MDL Number:
MFCD08694506
IUPAC Name:
N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]formamide
InChI:
InChI=1S/C17H18BrNO4/c1-23-17-9-15(18)13(8-16(17)22)10-19(11-20)7-6-12-2-4-14(21)5-3-12/h2-5,8-9,11,21-22H,6-7,10H2,1H3
InChI Key:
WZPIJXQLACAELC-UHFFFAOYSA-N
SMILES:
O=CN(Cc1cc(O)c(cc1Br)OC)CCc1ccc(cc1)O
EC Number:
602-791-3
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.238g/mol
Monoisotopic Mass:
379.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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