AG00HEO4

1186334-62-2 | 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

AG00HEO4

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CAS Number	1186334-62-2
Catalog Number	AG00HEO4(AGN-PC-0WNGU0)
Chemical Name	7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Name	7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
InChI	InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11-8(9)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChI Key	NUTJVPSEKQOSEQ-UHFFFAOYSA-N
MDL Number	MFCD22628189
Molecular Formula	C13H16BClN2O2
Molecular Weight	278.5423
SMILES	CC1(C)OB(OC1(C)C)C1=C2C=NNC2=C(Cl)C=C1
Synonyms	1186334-62-2, 7-Chloro-1H-indazole-4-boronic acid pinacol ester, 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole, SCHEMBL3496375, NUTJVPSEKQOSEQ-UHFFFAOYSA-N, MFCD22628189, AKOS027253748, ZINC204628056, SB16075, AS-51729, CS-0050043, KS-00000617, Q-7321, 1h-indazole,7-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-, 7-chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.099g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.543g/mol
Monoisotopic Mass	278.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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