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Also known as: 333361-49-2, (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone, Schembl1457144, Dtxsid10624872, Zinc37287663, Akos009476101
Molecular Formula
C14H10BrClO2
Molecular Weight
325.58  g/mol
InChI Key
NIEQZZXEZYUFMQ-UHFFFAOYSA-N

CAS 333361-49-2
1 2D Structure

CAS 333361-49-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone
2.1.2 InChI
InChI=1S/C14H10BrClO2/c1-18-11-5-2-9(3-6-11)14(17)12-8-10(15)4-7-13(12)16/h2-8H,1H3
2.1.3 InChI Key
NIEQZZXEZYUFMQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 333361-49-2

2. (5-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanone

3. Schembl1457144

4. Dtxsid10624872

5. Zinc37287663

6. Akos009476101

7. 5-bromo-2-chloro-4'-methoxybenzophenone

8. Da-31893

9. Ft-0736347

10. (5-bromo-2-chloro-phenyl)-(4-methoxy-phenyl)-methanone

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 325.58 g/mol
Molecular Formula C14H10BrClO2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26.3
Heavy Atom Count18
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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