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886365-62-4 | 9-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CAS No: 886365-62-4 Catalog No: AG0049LI MDL No:MFCD07369921
Product Description
Catalog Number:
AG0049LI
Chemical Name:
9-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CAS Number:
886365-62-4
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD07369921
IUPAC Name:
9-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
InChI:
InChI=1S/C9H11ClN2/c10-8-3-1-2-7-6-11-4-5-12-9(7)8/h1-3,11-12H,4-6H2
InChI Key:
LHFVXYGUIKBUII-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1NCCNC2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.651g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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