AG000D2F

1167056-12-3 | 1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-

AG000D2F

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CAS Number	1167056-12-3
Catalog Number	AG000D2F(AGN-PC-09SJ5N)
Chemical Name	1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-
IUPAC Name	4-fluoro-7-nitro-2,3-dihydro-1H-indole
InChI	InChI=1S/C8H7FN2O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-2,10H,3-4H2
InChI Key	PAVIDRYITUVQFL-UHFFFAOYSA-N
MDL Number	MFCD12405174
Molecular Formula	C8H7FN2O2
Molecular Weight	182.1518
SMILES	O=[N+](C1=CC=C(F)C2=C1NCC2)[O-]
Synonyms	1167056-12-3, 4-fluoro-7-nitro-2,3-dihydro-1H-indole, 4-Fluoro-7-nitroindoline, 2816AJ, ZINC44699990, AKOS026744612, 4-fluoro-7-nitro-2,3-dihydro-1H-indolin, 1H-Indole, 4-fluoro-2,3-dihydro-7-nitro-, W-1487, 4-fluoro-7-nitro-indoline, C8H7FN2O2,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.154g/mol
Monoisotopic Mass	182.049g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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