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117054-14-5 | 3H-1,3,4-Benzotriazepin-2-amine, 7-chloro-5-phenyl-
CAS No: 117054-14-5 Catalog No: AG000DNF MDL No:
Product Description
Catalog Number:
AG000DNF
Chemical Name:
3H-1,3,4-Benzotriazepin-2-amine, 7-chloro-5-phenyl-
CAS Number:
117054-14-5
Molecular Formula:
C14H11ClN4
Molecular Weight:
270.7169
IUPAC Name:
7-chloro-5-phenyl-3H-1,3,4-benzotriazepin-2-amine
InChI:
InChI=1S/C14H11ClN4/c15-10-6-7-12-11(8-10)13(18-19-14(16)17-12)9-4-2-1-3-5-9/h1-8H,(H3,16,17,19)
InChI Key:
ZTJHZWRBADIQSX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NNC(=N2)N)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.72g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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