CAS
98490-62-1 Purity
96%
98490-62-1 Purity
96%
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2H-1,4-Benzoxazine,3,4-dihydro-, hydrochloride (1:1)
CAS
98491-38-4
Catalog Number
ACM98491384
Category
Other Products
Molecular Weight
171.6241
Molecular Formula
C8H9 N O . Cl H
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Specification
Synonyms
98491-38-4, 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE, 3,4-dihydro-2H-1,4-benzoxazine hydrochloride, CTK8E1232, MolPort-019-922-428, AKOS015900901, AK122267, KB-28288, A845866, 3,4-Dihydro-2H-benzo[b][1,4]oxazine hydrochloride, I14-15661
IUPAC Name
3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
SMILES
C1COC2=CC=CC=C2N1.Cl
InChI Key
SEYXJSRNSAARCP-UHFFFAOYSA-N
Exact Mass
171.04500
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C8H10ClNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 171.62 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3,4-dihydro-2H-1,4-benzoxazine;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H9NO.ClH/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-4,9H,5-6H2;1H.
What is the InChIKey of the compound?
The InChIKey of the compound is SEYXJSRNSAARCP-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1COC2=CC=CC=C2N1.Cl.
What is the CAS number of the compound?
The CAS number of the compound is 98491-38-4.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 2.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 0.
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