AG00145I

1379323-18-8 | Pyridine, 3-bromo-5-methyl-4-nitro-

AG00145I

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CAS Number	1379323-18-8
Catalog Number	AG00145I(AGN-PC-0WD4IY)
Chemical Name	Pyridine, 3-bromo-5-methyl-4-nitro-
IUPAC Name	3-bromo-5-methyl-4-nitropyridine
InChI	InChI=1S/C6H5BrN2O2/c1-4-2-8-3-5(7)6(4)9(10)11/h2-3H,1H3
InChI Key	KUHYGUUDVQBULL-UHFFFAOYSA-N
MDL Number	MFCD17014982
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	O=[N+](C1=C(Br)C=NC=C1C)[O-]
Synonyms	3-Bromo-5-methyl-4-nitropyridine, 1379323-18-8, MFCD17014982, ZINC95930497, AKOS022178271, FCH1351880, Pyridine, 3-bromo-5-methyl-4-nitro-, AK145411, OR345531, AJ-136394, AX8283468,

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	1.7

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

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