CAS
928-08-7 Purity
96%
928-08-7 Purity
96%
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3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile
CAS
928118-07-4
Catalog Number
ACM928118074
Category
Other Products
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The molecular formula is C9H8N2O.
What is the molecular weight of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The molecular weight is 160.17 g/mol.
What is the IUPAC name of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The IUPAC name is 3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile.
What is the Canonical SMILES of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The Canonical SMILES is C1COC2=C(N1)C=C(C=C2)C#N.
What is the InChIKey of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The InChIKey is CLEDRPFTOHBJSE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile have?
It has 3 hydrogen bond acceptor counts.
What is the XLogP3-AA value of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The XLogP3-AA value is 1.4.
What is the topological polar surface area of 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile?
The topological polar surface area is 45 Ų.
How many heavy atom counts does 3,4-Dihydro-2H-benzo[1,4]oxazine-6-carbonitrile have?
It has 12 heavy atom counts.
Upstream Synthesis Route 1
- 544-92-3
- 105655-01-4
- 928118-07-4
Reference: [1] Patent: US2007/93477, 2007, A1, . Location in patent: Page/Page column 27-28
Upstream Synthesis Route 2
- 544-92-3
- 105655-01-4
- 928118-07-4
Reference: [1]Patent: US2007/93477,2007,A1 .Location in patent: Page/Page column 27-28
Downstream Synthesis Route 1
- 928118-07-4
- 1139717-68-2
- 1350660-01-3
Reference: [1]Patent: WO2011/144578,2011,A1 .Location in patent: Page/Page column 55
Downstream Synthesis Route 2
- 928118-07-4
- 1350660-03-5
- 1350659-89-0
Reference: [1]Patent: WO2011/144578,2011,A1 .Location in patent: Page/Page column 45; 46
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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CAS
928118-00-7 Purity
96%
928118-00-7 Purity
96%
