AG00847L

107947-17-1 | Methyl 3-bromo-4-chlorobenzoate

AG00847L

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CAS Number	107947-17-1
Catalog Number	AG00847L(AGN-PC-0NLCDJ)
Chemical Name	Methyl 3-bromo-4-chlorobenzoate
IUPAC Name	methyl 3-bromo-4-chlorobenzoate
InChI	InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key	CLRJXWANIVYEHH-UHFFFAOYSA-N
MDL Number	MFCD09751943
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	O=C(OC)C1=CC=C(Cl)C(Br)=C1
Synonyms	METHYL 3-BROMO-4-CHLOROBENZOATE, 107947-17-1, 3-Bromo-4-chloro-benzoic acid methyl ester, Benzoic acid, 3-bromo-4-chloro-, methyl ester, ACMC-2098yb, SCHEMBL728817, Methyl3-Bromo-4-Chlorobenzoate, CTK4A5786, Methyl-3-bromo-4-chlorobenzoate, DTXSID70625168, CLRJXWANIVYEHH-UHFFFAOYSA-N, methyl 3-bromo-4-chloro-benzoate, ANW-15873, MFCD09751943, ZINC65336908, AKOS015834198, RP28863, AC-30056, AK107559, AN-33728, AS-36348, CJ-21013, SC-39322, SY038668, AJ-114934, TR-033984, FT-0729927, Z7196, MFCD09751943 (95%), A-4885, Z-8017, I01-8995, J-511916, C8H6BrClO2, A2106,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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