CAS
924-49-2 Purity
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924-49-2 Purity
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2H-1-Benzopyran-2-one,3-chloro-
CAS
92-45-5
Catalog Number
ACM92455
Category
Other Products
Molecular Weight
180.5878
Molecular Formula
C9H5 Cl O2
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Specification
Synonyms
3-Chlorocoumarin, Coumarin, 3-chloro-, Ambcb5102979, 3-Chloro-2H-chromen-2-one, NSC54855, 2H-1-Benzopyran-2-one, 3-chloro-, 579572_ALDRICH, MolPort-002-130-138, AIDS124841, HMS1607G19, 3-Chloro-2H-1-benzopyran-2-one, AIDS-124841, CID96133, NSC 54855, ZINC00225812, C2297, 92-45-5
IUPAC Name
3-chlorochromen-2-one
Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)Cl
InChI Key
CKCOPMSBJBNBCQ-UHFFFAOYSA-N
Boiling Point
325.4ºC at 760 mmHg
Melting Point
121-125ºC(lit.)
Flash Point
175ºC
Density
1.4 g/cm³
Exact Mass
179.99800
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
26-36
What is the molecular formula of 2H-1-Benzopyran-2-one,3-chloro?
The molecular formula is C9H5ClO2.
What is the molecular weight of 2H-1-Benzopyran-2-one,3-chloro?
The molecular weight is 180.59 g/mol.
What is the IUPAC name of 2H-1-Benzopyran-2-one,3-chloro?
The IUPAC name is 3-chlorochromen-2-one.
What is the InChI of 2H-1-Benzopyran-2-one,3-chloro?
The InChI is InChI=1S/C9H5ClO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H.
What is the InChIKey of 2H-1-Benzopyran-2-one,3-chloro?
The InChIKey is CKCOPMSBJBNBCQ-UHFFFAOYSA-N.
What is the canonical SMILES of 2H-1-Benzopyran-2-one,3-chloro?
The canonical SMILES is C1=CC=C2C(=C1)C=C(C(=O)O2)Cl.
What is the CAS number of 2H-1-Benzopyran-2-one,3-chloro?
The CAS number is 92-45-5.
What is the European Community (EC) number of 2H-1-Benzopyran-2-one,3-chloro?
The European Community (EC) number is 623-091-4.
Is 2H-1-Benzopyran-2-one,3-chloro a canonicalized compound?
Yes, 2H-1-Benzopyran-2-one,3-chloro is a canonicalized compound.
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