CAS
98-39-5 Purity
96%
98-39-5 Purity
96%
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2H-1,4-Benzoxazine,3,4-dihydro-8-nitro-
CAS
98395-66-5
Catalog Number
ACM98395665
Category
Other Products
Molecular Weight
216.62166
Molecular Formula
C8H8 N2 O3
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Specification
Synonyms
98395-66-5, 8-Nitro-3,4-dihydro-2H-benzo[b][1,4]oxazine hydrochloride, CTK8D4329, AKOS015900900, AK115630, KB-250486, I14-15660, 8-NITRO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE
IUPAC Name
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
Canonical SMILES
C1COC2=C(N1)C=CC=C2[N+](=O)[O-].Cl
InChI Key
KQQDXFSKAAPAHF-UHFFFAOYSA-N
Exact Mass
180.05300
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro?
The molecular formula is C8H8N2O3.
When was 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro first created?
It was first created on February 8, 2007.
What is the IUPAC Name of 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro?
The IUPAC Name is 8-nitro-3,4-dihydro-2H-1,4-benzoxazine.
What is the InChI of 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro?
The InChI is InChI=1S/C8H8N2O3/c11-10(12)7-3-1-2-6-8(7)13-5-4-9-6/h1-3,9H,4-5H2.
What is the InChIKey of 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro?
The InChIKey is HMJHSCSQNOAHKO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro?
The topological polar surface area is 67.1 Å2.
How many rotatable bond counts does 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro have?
It has 0 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts does 2H-1,4-Benzoxazine,3,4-dihydro-8-nitro have?
It has 1 covalently-bonded unit count.
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