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886364-27-8 | tert-Butyl 8-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
CAS No: 886364-27-8 Catalog No: AG004AF0 MDL No:MFCD07369865
Product Description
Catalog Number:
AG004AF0
Chemical Name:
tert-Butyl 8-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
CAS Number:
886364-27-8
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
MDL Number:
MFCD07369865
IUPAC Name:
tert-butyl 8-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
InChI:
InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-7-6-16-12-8-11(15)5-4-10(12)9-17/h4-5,8,16H,6-7,9H2,1-3H3
InChI Key:
BRVJAQILUHAISO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.768g/mol
Monoisotopic Mass:
282.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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