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94231-72-8 Purity
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96%
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10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbonylchloride
CAS
94231-78-4
Catalog Number
ACM94231784
Category
Other Products
Molecular Weight
262.7148
Molecular Formula
C12H7ClN2OS
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Specification
Synonyms
EINECS 303-899-0, 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbonyl chloride, 94231-78-4
IUPAC Name
pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride
Canonical SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC=N3)C(=O)Cl
InChI Key
JBXLULDASFBHLX-UHFFFAOYSA-N
Boiling Point
443.3ºC at 760mmHg
Flash Point
221.9ºC
Density
1.492g/cm³
EC Number
303-899-0
Exact Mass
261.99700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride?
The molecular formula is C12H7ClN2OS.
When was the compound created and modified?
It was created on 2007-12-05 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride.
What is the molecular weight of the compound?
The molecular weight is 262.72 g/mol.
What is the InChIKey of the compound?
The InChIKey is JBXLULDASFBHLX-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 58.5 Ų.
How many defined atom stereocenters does the compound have?
The compound has 0 defined atom stereocenters.
Is the compound canonically bonded?
Yes, the compound is canonicalized.
What is the exact mass of the compound?
The exact mass is 261.9967617 g/mol.
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