AG00DECW

500011-86-9 | 3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

AG00DECW

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CAS Number	500011-86-9
Catalog Number	AG00DECW(AGN-PC-00C5IK)
Chemical Name	3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
EC Number	481-150-8
IUPAC Name	5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic acid
InChI	InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
InChI Key	FORBXGROTPOMEH-UHFFFAOYSA-N
MDL Number	MFCD08689880
Molecular Formula	C9H5BrClN3O2
Molecular Weight	302.5119
SMILES	O=C(C1=CC(Br)=NN1C2=NC=CC=C2Cl)O
Synonyms	500011-86-9, 3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid, 3-BROMO-1-(3-CHLORO-2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID, AK-59882, 1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-, 5-Bromo-2-(3-chloro-pyridin-2-yl)-2H-pyrazole-3-carboxylic acid, C9H5BrClN3O2, SCHEMBL535475, CTK5I9102, KS-00000OUV, DTXSID30469045, FORBXGROTPOMEH-UHFFFAOYSA-N, ANW-63951, MFCD08689880, ZINC15810042, AKOS016003849, AC-9013, AN-7453, RL06141, AJ-67925, BC280869, DS-16356, SC-95349, AB0003883, AX8215088, DB-071078, TC-152696, 4CH-023996, CS-0046975, FT-0750435, ST24041816, X8007, J-511782, 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-car, 5-bromo-2-(3-chloro-2-pyridyl)pyrazole-3-carboxylic acid, 1-(3-CHLORO-2-PYRIDYL)-3-BROMO-5-PYRAZOLE CARBOXYLIC ACID, 3-bromo-1-(3- chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro- 2-pyridinyl)-1H-pyrazole-5-carboxylic acid, CID11587535, EC 481-150-8, 3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-c, 5-bromo-2-(3-chloropyridin-2-yl)pyrazole-3-carboxylic Acid, 1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl), 3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic ac ID, 3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylicacid,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.925g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.512g/mol
Monoisotopic Mass	300.925g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

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