AG0039KF

51417-13-1 | 5-bromo-1,3-dimethylpyridin-2(1H)-one

AG0039KF

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CAS Number	51417-13-1
Catalog Number	AG0039KF(AGN-PC-0NIBEV)
Chemical Name	5-bromo-1,3-dimethylpyridin-2(1H)-one
IUPAC Name	5-bromo-1,3-dimethylpyridin-2-one
InChI	InChI=1S/C7H8BrNO/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,1-2H3
InChI Key	UEHHXNZKBMALIY-UHFFFAOYSA-N
MDL Number	MFCD16658881
Molecular Formula	C7H8BrNO
Molecular Weight	202.0485
SMILES	BrC=1C=C(C(N(C1)C)=O)C
Synonyms	5-Bromo-1,3-dimethyl-2-pyridone, 51417-13-1, 5-bromo-1,3-dimethylpyridin-2(1H)-one, 5-Bromo-1,3-dimethyl-1H-pyridin-2-one, 5-Bromo-1,3-dimethylpyridin-2-one, MFCD16658881, 2(1H)-Pyridinone, 5-bromo-1,3-dimethyl-, SCHEMBL2118787, UEHHXNZKBMALIY-UHFFFAOYSA-N, ZINC71517223, AKOS016555080, AM83281, SC-69811, 1,3-Dimethyl-5-bromopyridine-2(1H)-one, CS-0040848,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.979g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.051g/mol
Monoisotopic Mass	200.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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