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88404-45-9 | Quinazoline, 2,6,8-trichloro-4-(1-piperidinyl)-
CAS No: 88404-45-9 Catalog No: AG004F3S MDL No:
Product Description
Catalog Number:
AG004F3S
Chemical Name:
Quinazoline, 2,6,8-trichloro-4-(1-piperidinyl)-
CAS Number:
88404-45-9
Molecular Formula:
C13H12Cl3N3
Molecular Weight:
316.6135
IUPAC Name:
2,6,8-trichloro-4-piperidin-1-ylquinazoline
InChI:
InChI=1S/C13H12Cl3N3/c14-8-6-9-11(10(15)7-8)17-13(16)18-12(9)19-4-2-1-3-5-19/h6-7H,1-5H2
InChI Key:
LOGDETBMDDPXMF-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(nc(n2)Cl)N1CCCCC1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.61g/mol
Monoisotopic Mass:
315.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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