AG000AD2

114042-02-3 | Pyridine, 5-bromo-3-methyl-2-nitro-

AG000AD2

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CAS Number	114042-02-3
Catalog Number	AG000AD2(AGN-PC-05IUDI)
Chemical Name	Pyridine, 5-bromo-3-methyl-2-nitro-
IUPAC Name	5-bromo-3-methyl-2-nitropyridine
InChI	InChI=1S/C6H5BrN2O2/c1-4-2-5(7)3-8-6(4)9(10)11/h2-3H,1H3
InChI Key	VKFNGESSJFKZEK-UHFFFAOYSA-N
MDL Number	MFCD11046415
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	BrC=1C=C(C(=NC1)[N+](=O)[O-])C
Synonyms	5-Bromo-3-methyl-2-nitropyridine, 114042-02-3, Pyridine, 5-bromo-3-methyl-2-nitro-, 2-nitro-5-bromo-3-methyl pyridine, AK137293, ACMC-20mjlh, CTK0C8026, KS-00000DVY, DTXSID10652074, 6343AJ, MFCD11046415, ZINC21982284, AKOS015891737, DS-5816, FCH1401963, AJ-79054, BC675539, SC-05387, SY023387, AX8258861, DB-060578, ST2406125, 4CH-017016, CS-0061272, FT-0736222, MFCD11046415 (97%), I02-1748, C6H5BrN2O2, 2-Nitro-5-bromo-3-picoline, ACN-054242,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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