AG0011BO

1328893-16-8 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-

AG0011BO

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CAS Number	1328893-16-8
Catalog Number	AG0011BO(AGN-PC-038MS0)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-bromo-
IUPAC Name	5-bromo-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key	OOKGNGYUNBYGEL-UHFFFAOYSA-N
MDL Number	MFCD21605341
Molecular Formula	C4H3BrN2O2
Molecular Weight	190.9828
SMILES	BrC1=CC(=NN1)C(=O)O
Synonyms	5-Bromo-1H-pyrazole-3-carboxylic acid, 1328893-16-8, 3-Bromo-1H-pyrazole-5-carboxylic acid, 1905484-46-9, 5-Bromopyrazole-3-carboxylic Acid, SCHEMBL15648067, DTXSID00611418, 6022AA, MFCD21605341, ZINC72190610, AKOS016000962, ACN-000789, CS-W006919, DS-5864, NE37921, SB12340, AC-29468, AK128451, DA-12273, QC-10368, SY036625, 1H-Pyrazole-3-carboxylic acid, 5-bromo-, AB0069909, AJ-119337, ST2406084, 4CH-002166, FT-0760670, MFCD21605341 (95%), Z2216720860, C4H3BrN2O2,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.938g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.984g/mol
Monoisotopic Mass	189.938g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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