AG005H2J

759427-20-8 | 4-Bromo-3-fluorobenzamide

AG005H2J

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CAS Number	759427-20-8
Catalog Number	AG005H2J(AGN-PC-03HHM0)
Chemical Name	4-Bromo-3-fluorobenzamide
IUPAC Name	4-bromo-3-fluorobenzamide
InChI	InChI=1S/C7H5BrFNO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChI Key	VKCJLZDBTNZHSV-UHFFFAOYSA-N
MDL Number	MFCD06409121
Molecular Formula	C7H5BrFNO
Molecular Weight	218.0231
SMILES	O=C(N)C1=CC=C(Br)C(F)=C1
Synonyms	4-Bromo-3-fluorobenzamide, 759427-20-8, ACMC-209p0u, 4-bromo-3-fluoro-benzamide, SCHEMBL356759, Benzamide, 4-bromo-3-fluoro-, CTK8B2284, DTXSID40619832, VKCJLZDBTNZHSV-UHFFFAOYSA-N, ANW-36700, KM1725, MFCD06409121, ZINC49375920, AKOS010973377, 4-bromo-3-fluorobenzamide, AldrichCPR, MCULE-4893015074, CJ-20597, SC-31786, AJ-111018, TC-125445, V7636, C7H5BrFNO,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.025g/mol
Monoisotopic Mass	216.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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