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88627-15-0 | Ethanol, 2,2'-[(6-chloro-5-nitro-4-pyrimidinyl)imino]bis-
CAS No: 88627-15-0 Catalog No: AG004BS6 MDL No:
Product Description
Catalog Number:
AG004BS6
Chemical Name:
Ethanol, 2,2'-[(6-chloro-5-nitro-4-pyrimidinyl)imino]bis-
CAS Number:
88627-15-0
Molecular Formula:
C8H11ClN4O4
Molecular Weight:
262.6503
IUPAC Name:
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
InChI:
InChI=1S/C8H11ClN4O4/c9-7-6(13(16)17)8(11-5-10-7)12(1-3-14)2-4-15/h5,14-15H,1-4H2
InChI Key:
YCGHWYZKTBSEDZ-UHFFFAOYSA-N
SMILES:
OCCN(c1ncnc(c1[N+](=O)[O-])Cl)CCO
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.65g/mol
Monoisotopic Mass:
262.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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