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143879-76-9 | 2,4-Quinazolinediamine, 6-chloro-8-fluoro-
CAS No: 143879-76-9 Catalog No: AG001IJN MDL No:
Product Description
Catalog Number:
AG001IJN
Chemical Name:
2,4-Quinazolinediamine, 6-chloro-8-fluoro-
CAS Number:
143879-76-9
Molecular Formula:
C8H6ClFN4
Molecular Weight:
212.6114
IUPAC Name:
6-chloro-8-fluoroquinazoline-2,4-diamine
InChI:
InChI=1S/C8H6ClFN4/c9-3-1-4-6(5(10)2-3)13-8(12)14-7(4)11/h1-2H,(H4,11,12,13,14)
InChI Key:
BZMGMAAHSUOBFR-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c2c(c1)c(N)nc(n2)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.612g/mol
Monoisotopic Mass:
212.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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