200,000+ products from a single source!
sales@angenechem.com
137890-03-0 | 1H-1,3-Diazepine-5-carbonitrile, 4,6,7-trichloro-2,3-dihydro-2-oxo-
CAS No: 137890-03-0 Catalog No: AG001420 MDL No:
Product Description
Catalog Number:
AG001420
Chemical Name:
1H-1,3-Diazepine-5-carbonitrile, 4,6,7-trichloro-2,3-dihydro-2-oxo-
CAS Number:
137890-03-0
Molecular Formula:
C6H2Cl3N3O
Molecular Weight:
238.4586
IUPAC Name:
4,6,7-trichloro-2-oxo-1,3-dihydro-1,3-diazepine-5-carbonitrile
InChI:
InChI=1S/C6H2Cl3N3O/c7-3-2(1-10)4(8)11-6(13)12-5(3)9/h(H2,11,12,13)
InChI Key:
HZQBHMOGRUANRU-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)[nH]c(=O)[nH]c(c1Cl)Cl
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.452g/mol
Monoisotopic Mass:
236.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.