AG0096XQ

1204219-98-6 | 5-Bromo-2-chloro-4-fluoro-benzoic acid

AG0096XQ

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CAS Number	1204219-98-6
Catalog Number	AG0096XQ
Chemical Name	5-Bromo-2-chloro-4-fluoro-benzoic acid
IUPAC Name	5-bromo-2-chloro-4-fluorobenzoic acid
InChI	InChI=1S/C7H3BrClFO2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)
InChI Key	DTJGLOLRNBDUFB-UHFFFAOYSA-N
MDL Number	MFCD24107203
Molecular Formula	C7H3BrClFO2
Molecular Weight	253.4529
SMILES	BrC=1C(=CC(=C(C(=O)O)C1)Cl)F
Synonyms	5-bromo-2-chloro-4-fluorobenzoic acid, 1204219-98-6, 5-Bromo-2-chloro-4-fluoro-benzoic acid, SCHEMBL1552250, DTJGLOLRNBDUFB-UHFFFAOYSA-N, MFCD24107203, AKOS020007842, ZINC116500082, CS-W004398, FT-0722503,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.899g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.451g/mol
Monoisotopic Mass	251.899g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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