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81935-60-6 | Phenol,4-[(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-
CAS No: 81935-60-6 Catalog No: AG0055W2 MDL No:
Product Description
Catalog Number:
AG0055W2
Chemical Name:
Phenol,4-[(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-
CAS Number:
81935-60-6
Molecular Formula:
C19H14ClN3O2
Molecular Weight:
351.7864
IUPAC Name:
4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]phenol
InChI:
InChI=1S/C19H14ClN3O2/c1-25-17-9-8-15-19(23-17)18(21-12-3-5-13(24)6-4-12)14-7-2-11(20)10-16(14)22-15/h2-10,24H,1H3,(H,21,22)
InChI Key:
OHLFWLUPLZLCGD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)c(Nc1ccc(cc1)O)c1c(n2)cc(cc1)Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.79g/mol
Monoisotopic Mass:
351.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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