AG0037IZ

57381-59-6 | Methyl 5-bromo-2-fluorobenzoate

AG0037IZ

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CAS Number	57381-59-6
Catalog Number	AG0037IZ(AGN-PC-03CDPL)
Chemical Name	Methyl 5-bromo-2-fluorobenzoate
IUPAC Name	methyl 5-bromo-2-fluorobenzoate
InChI	InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key	DXOPSTSVRPCTOS-UHFFFAOYSA-N
MDL Number	MFCD06203710
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	BrC=1C=CC(=C(C(=O)OC)C1)F
Synonyms	METHYL 5-BROMO-2-FLUOROBENZOATE, 57381-59-6, 5-Bromo-2-fluorobenzoic acid methyl ester, Benzoic acid, 5-bromo-2-fluoro-, methyl ester, SCHEMBL1476688, methyl 3-bromo-6-fluorobenzoate, CTK8C4042, KS-00000QOM, DTXSID20615574, DXOPSTSVRPCTOS-UHFFFAOYSA-N, ANW-70985, MFCD06203710, ZINC35100412, AKOS007984240, CM12503, CS-W009242, MCULE-7800103877, AJ-90692, AK104796, AS-19874, CJ-18635, SC-36955, 5-Bromo-2-fluoro benzoic acid methyl ester, 5-bromo-2-fluoro-benzoic acid methyl ester, AB0042807, TC-159730, FT-0745759, ST24025409, Z0700, EN300-82981, L-1166, Z28824340, C8H6BrFO2,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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