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1236670-87-3 | 2(3H)-Benzoxazolone, 5-[(2-chloro-5-methyl-4-pyrimidinyl)amino]-
CAS No: 1236670-87-3 Catalog No: AG000KXD MDL No:
Product Description
Catalog Number:
AG000KXD
Chemical Name:
2(3H)-Benzoxazolone, 5-[(2-chloro-5-methyl-4-pyrimidinyl)amino]-
CAS Number:
1236670-87-3
Molecular Formula:
C12H9ClN4O2
Molecular Weight:
276.6785
IUPAC Name:
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H9ClN4O2/c1-6-5-14-11(13)17-10(6)15-7-2-3-9-8(4-7)16-12(18)19-9/h2-5H,1H3,(H,16,18)(H,14,15,17)
InChI Key:
XCBQURRLOOQIGS-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)Nc1ccc2c(c1)[nH]c(=O)o2)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.68g/mol
Monoisotopic Mass:
276.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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