CAS
934156-84-0 Purity
96%
934156-84-0 Purity
96%
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3-Bromo-2,3-dihydro-benzo[h]chromen-4-one
CAS
93416-98-9
Catalog Number
ACM93416989
Category
Other Products
Molecular Weight
277.113360 [g/mol]
Molecular Formula
C13H9BrO2
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Specification
Synonyms
4H-Naphtho[1,2-b]pyran-4-one, 3-bromo-2,3-dihydro-, 93416-98-9, 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one, ACMC-20exzm, AGN-PC-00MB5P, CTK3F6082, AG-L-63728
IUPAC Name
3-bromo-2,3-dihydrobenzo[h]chromen-4-one
Canonical SMILES
C1C(C(=O)C2=C(O1)C3=CC=CC=C3C=C2)Br
InChI Key
CVSCKMZSGGTMSK-UHFFFAOYSA-N
Exact Mass
275.97900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The molecular formula is C13H9BrO2.
When was the structure of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one created and modified?
The structure was created on 2007-02-08 and modified on 2023-12-30.
What is the IUPAC name of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The IUPAC name is 3-bromo-2,3-dihydrobenzo[h]chromen-4-one.
What is the InChI of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The InChI is InChI=1S/C13H9BrO2/c14-11-7-16-13-9-4-2-1-3-8(9)5-6-10(13)12(11)15/h1-6,11H,7H2.
What is the Canonical SMILES of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The Canonical SMILES is C1C(C(=O)C2=C(O1)C3=CC=CC=C3C=C2)Br.
How much is the molecular weight of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The molecular weight is 277.11 g/mol.
What is the XLogP3-AA value of 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
The XLogP3-AA value is 3.5.
How many hydrogen bond acceptors are in 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
There are 2 hydrogen bond acceptors.
How many rotatable bonds are in 3-Bromo-2,3-dihydro-benzo[h]chromen-4-one?
There are 0 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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