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1159823-84-3 | 1H-1,4-Benzodiazepine, 9-chloro-2,3,4,5-tetrahydro-, hydrochloride (1:2)
CAS No: 1159823-84-3 Catalog No: AG000HC7 MDL No:
Product Description
Catalog Number:
AG000HC7
Chemical Name:
1H-1,4-Benzodiazepine, 9-chloro-2,3,4,5-tetrahydro-, hydrochloride (1:2)
CAS Number:
1159823-84-3
Molecular Formula:
C9H13Cl3N2
Molecular Weight:
255.5719
IUPAC Name:
9-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;dihydrochloride
InChI:
InChI=1S/C9H11ClN2.2ClH/c10-8-3-1-2-7-6-11-4-5-12-9(7)8;;/h1-3,11-12H,4-6H2;2*1H
InChI Key:
JLHZTGCPIGPAHU-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1NCCNC2.Cl.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.567g/mol
Monoisotopic Mass:
254.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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