AG00IEDA

871224-19-0 | Methyl 3-bromo-2-chlorobenzoate

AG00IEDA

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CAS Number	871224-19-0
Catalog Number	AG00IEDA(AGN-PC-0WAN9Q)
Chemical Name	Methyl 3-bromo-2-chlorobenzoate
IUPAC Name	methyl 3-bromo-2-chlorobenzoate
InChI	InChI=1S/C8H6BrClO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key	OWPJVOSLLKRKQJ-UHFFFAOYSA-N
MDL Number	MFCD18398720
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	O=C(OC)C1=CC=CC(Br)=C1Cl
Synonyms	Methyl 3-bromo-2-chlorobenzoate, 871224-19-0, SCHEMBL2730695, OWPJVOSLLKRKQJ-UHFFFAOYSA-N, MFCD18398720, ZINC95930478, AKOS022178291, DS-8089, AK145354, DA-02201, AJ-136383, CS-0031442, FT-0707625, Benzoic acid, 3-bromo-2-chloro-, methyl ester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.488g/mol
Monoisotopic Mass	247.924g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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