CAS
95640-45-2 Purity
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95640-45-2 Purity
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tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate
CAS
956434-30-3
Catalog Number
ACM956434303
Category
Other Products
Molecular Weight
284.738680 [g/mol]
Molecular Formula
C13H17ClN2O3
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Specification
Synonyms
TERT-BUTYL 8-CHLORO-2,3-DIHYDROPYRIDO[3,2-F][1,4]OXAZEPINE-4(5H)-CARBOXYLATE, 956434-30-3, CTK5H7911, AKOS016013818, AG-H-93269, AK-83132, KB-260868
IUPAC Name
tert-butyl 8-chloro-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCOC2=C(C1)C=CC(=N2)Cl
InChI Key
RZCINNFEMKYQKK-UHFFFAOYSA-N
Exact Mass
284.09300
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The molecular formula is C13H17ClN2O3.
What is the molecular weight of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The molecular weight is 284.74 g/mol.
What is the IUPAC name of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The IUPAC name is tert-butyl 8-chloro-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate.
What is the InChI of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(17)16-6-7-18-11-9(8-16)4-5-10(14)15-11/h4-5H,6-8H2,1-3H3.
What is the InChIKey of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The InChIKey is RZCINNFEMKYQKK-UHFFFAOYSA-N.
What is the Canonical SMILES of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The Canonical SMILES is CC(C)(C)OC(=O)N1CCOC2=C(C1)C=CC(=N2)Cl.
What is the XLogP3-AA value of tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does tert-Butyl 8-chloro-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate have?
It has 2 rotatable bond counts.
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