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 Formula	C₁₄H₁₀BrClO₂
Molecular Weight	325.58 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	18
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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