AG000MLC

1246761-84-1 | Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-4-yl-

AG000MLC

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CAS Number	1246761-84-1
Catalog Number	AG000MLC(AGN-PC-0WACH5)
Chemical Name	Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-4-yl-
IUPAC Name	1H-pyrrolo[2,3-b]pyridin-4-ylboronic acid
InChI	InChI=1S/C7H7BN2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4,11-12H,(H,9,10)
InChI Key	DPSPGIZCHXNPRZ-UHFFFAOYSA-N
MDL Number	MFCD09027598
Molecular Formula	C7H7BN2O2
Molecular Weight	161.9537
SMILES	OB(C1=C2C(NC=C2)=NC=C1)O
Synonyms	1246761-84-1, 1H-PYRROLO[2,3-B]PYRIDIN-4-YLBORONIC ACID, (1H-Pyrrolo[2,3-b]pyridin-4-yl)boronic acid, {1H-pyrrolo[2,3-b]pyridin-4-yl}boronic acid, 1H-PYRROLO[2,3-B]PYRIDINE-4-BORONIC ACID, B-1H-PYRROLO[2,3-B]PYRIDIN-4-YLBORONIC ACID, SCHEMBL1497464, DPSPGIZCHXNPRZ-UHFFFAOYSA-N, KS-000005MU, FCH863640, MFCD09027598, AKOS006289554, ZINC169748408, AB49209, RP22455, AK-45706, AS-50592, DB-062303, CS-0030591, FT-0722505, ST24033541, J3.563.359F, (1H-Pyrrolo[2,3-b]pyridine-4-yl)boronic acid, Boronicacid,B-1H-pyrrolo[2,3-b]pyridin-4-yl-, Boronic acid, B-1H-pyrrolo[2,3-b]pyridin-4-yl-, 62893-54-3,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.06g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	161.955g/mol
Monoisotopic Mass	162.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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