CAS
901-62-2 Purity
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901-62-2 Purity
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1,2,3-Benzotriazin-4(3H)-one
CAS
90-16-4
Catalog Number
ACM90164
Category
Other Products
Molecular Weight
147.15
Molecular Formula
C7H5N3O
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Specification
Synonyms
Benzazimidone, Benzazimide, Benzoketotriazine, 4-Ketobenzotriazine, 1,2,3-Benzotriazin-4-ol, USAF MA-2, 1,2,3-Benzotriazin-4(3H)-one, 1,2,3-Benzotriazin-4(1H)-one, 4-Ketobenz-1,2,3-triazine, 1,2,3-Benzotriazin-4-one, HSDB 5270, 3H-1,2,3-Benzotriazin-4-one, 340545_ALDRICH, ARONIS022202, NSC20121, EINECS 201-971-5, NSC 13563, 4-Keto-(3H)-1,2,3-benzotriazine, AIDS049394, AIDS-049394
IUPAC Name
1H-1,2,3-benzotriazin-4-one
Canonical SMILES
C1=CC=C2C(=C1)C(=O)N=NN2
InChI Key
DMSSTTLDFWKBSX-UHFFFAOYSA-N
Boiling Point
282.4ºC at 760 mmHg
Melting Point
216-218ºC
Flash Point
124.6ºC
Density
1.47 g/cm³
Appearance
Buff Colored Powder
EC Number
201-971-5
Exact Mass
147.04300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
S22-S36/37
WGK Germany
3
What is the molecular formula of 1,2,3-Benzotriazin-4(3H)-one?
The molecular formula is C7H5N3O.
What is the molecular weight of 1,2,3-Benzotriazin-4(3H)-one?
The molecular weight is 147.13 g/mol.
What is the IUPAC name of 1,2,3-Benzotriazin-4(3H)-one?
The IUPAC name is 3H-1,2,3-benzotriazin-4-one.
What is the InChI of 1,2,3-Benzotriazin-4(3H)-one?
The InChI is InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11).
What is the InChIKey of 1,2,3-Benzotriazin-4(3H)-one?
The InChIKey is DMSSTTLDFWKBSX-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 1,2,3-Benzotriazin-4(3H)-one?
There is 1 hydrogen bond donor count.
What is the exact mass of 1,2,3-Benzotriazin-4(3H)-one?
The exact mass is 147.043261791 g/mol.
How many heavy atoms are in the structure of 1,2,3-Benzotriazin-4(3H)-one?
There are 11 heavy atoms.
What is the topological polar surface area of 1,2,3-Benzotriazin-4(3H)-one?
The topological polar surface area is 53.8 Ų.
How many rotatable bond counts are there in 1,2,3-Benzotriazin-4(3H)-one?
There are 0 rotatable bond counts.
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