AG000HT2

1190318-93-4 | 4-Bromo-1H-pyrrolo[2,3-c]pyridin-2(3H);-one

AG000HT2

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CAS Number	1190318-93-4
Catalog Number	AG000HT2(AGN-PC-0H0YMS)
Chemical Name	4-Bromo-1H-pyrrolo[2,3-c]pyridin-2(3H);-one
IUPAC Name	4-bromo-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
InChI	InChI=1S/C7H5BrN2O/c8-5-2-9-3-6-4(5)1-7(11)10-6/h2-3H,1H2,(H,10,11)
InChI Key	KZNIAYMPFKNABU-UHFFFAOYSA-N
MDL Number	MFCD12963348
Molecular Formula	C7H5BrN2O
Molecular Weight	213.0314
SMILES	O=C(N1)CC2=C1C=NC=C2Br
Synonyms	4-Bromo-1H-pyrrolo[2,3-c]pyridin-2(3H)-one, 1190318-93-4, 4-BROMO-6-AZA-2-OXINDOLE, AK-88815, 4-BROMO-1,3-DIHYDRO-2H-PYRROLO[2,3-C]PYRIDIN-2-ONE, CTK8B4195, KS-00000PXF, DTXSID20735281, 3230AA, ANW-44216, MFCD12963348, ZINC44713236, AKOS015999085, AB66495, CB-4010, FCH1378933, DS-18527, QC-10627, AB0098172, AJ-110051, AX8228469, TC-132961, 4CH-011664, ST24023325, W-1685, 2H-Pyrrolo[2,3-c]pyridin-2-one, 4-bromo-1,3-dihydro-, C7H5BrN2O, 4-BROMO-1H,2H,3H-PYRROLO[2,3-C]PYRIDIN-2-ONE,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.034g/mol
Monoisotopic Mass	211.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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