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189250-15-5 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(phenylmethyl)-
CAS No: 189250-15-5 Catalog No: AG002I53 MDL No:MFCD00447778
Product Description
Catalog Number:
AG002I53
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(phenylmethyl)-
CAS Number:
189250-15-5
Molecular Formula:
C10H10ClN5
Molecular Weight:
235.6729
MDL Number:
MFCD00447778
IUPAC Name:
2-N-benzyl-6-chloro-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C10H10ClN5/c11-8-14-9(12)16-10(15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)
InChI Key:
XSDWOOUKAMFWTM-UHFFFAOYSA-N
SMILES:
Nc1nc(NCc2ccccc2)nc(n1)Cl
NSC Number:
685812
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.675g/mol
Monoisotopic Mass:
235.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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