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1266975-27-2 | Benzoxazole, 5-chloro-2-[(5R)-hexahydro-5-methyl-1H-1,4-diazepin-1-yl]-
CAS No: 1266975-27-2 Catalog No: AG000T4B MDL No:MFCD22124911
Product Description
Catalog Number:
AG000T4B
Chemical Name:
Benzoxazole, 5-chloro-2-[(5R)-hexahydro-5-methyl-1H-1,4-diazepin-1-yl]-
CAS Number:
1266975-27-2
Molecular Formula:
C13H16ClN3O
Molecular Weight:
265.7386
MDL Number:
MFCD22124911
IUPAC Name:
5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
InChI:
InChI=1S/C13H16ClN3O/c1-9-4-6-17(7-5-15-9)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3/t9-/m1/s1
InChI Key:
RADJSLVGESASMK-SECBINFHSA-N
SMILES:
C[C@H]1NCCN(CC1)c1oc2c(n1)cc(cc2)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.741g/mol
Monoisotopic Mass:
265.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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