AG00FECY

7101-95-3 | 3-Bromo-6-nitroquinoline

AG00FECY

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CAS Number	7101-95-3
Catalog Number	AG00FECY(AGN-PC-00P1SQ)
Chemical Name	3-Bromo-6-nitroquinoline
IUPAC Name	3-bromo-6-nitroquinoline
InChI	InChI=1S/C9H5BrN2O2/c10-7-3-6-4-8(12(13)14)1-2-9(6)11-5-7/h1-5H
InChI Key	XIGQUURJVUSYBF-UHFFFAOYSA-N
MDL Number	MFCD12024480
Molecular Formula	C9H5BrN2O2
Molecular Weight	253.0522
SMILES	O=[N+](C1=CC=C2N=CC(Br)=CC2=C1)[O-]
Synonyms	3-bromo-6-nitroquinoline, 7101-95-3, AK126283, A1-01823, 6-Nitro-3-bromoquinoline, (R)-oct-7-yn-2-ol, 3-bromanyl-6-nitro-quinoline, SCHEMBL4816985, KS-00000QQH, DTXSID10572187, 9035AF, MFCD12024480, ZINC32914910, AKOS015919332, ACN-037418, DS-2894, FCH1328518, OR45087, AJ-85676, QC-11478, AB1010360, AX8239487, DB-074368, ST2410566, 4CH-016615, FT-0653953, A837050, S08-0017, C9H5BrN2O2,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.953g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.055g/mol
Monoisotopic Mass	251.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number