AG000NNF

1254123-51-7 | Pyridine, 5-bromo-3-(difluoromethyl)-2-methoxy-

AG000NNF

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CAS Number	1254123-51-7
Catalog Number	AG000NNF(AGN-PC-0HPH78)
Chemical Name	Pyridine, 5-bromo-3-(difluoromethyl)-2-methoxy-
IUPAC Name	5-bromo-3-(difluoromethyl)-2-methoxypyridine
InChI	InChI=1S/C7H6BrF2NO/c1-12-7-5(6(9)10)2-4(8)3-11-7/h2-3,6H,1H3
InChI Key	AJNHTTUMXPNNAH-UHFFFAOYSA-N
MDL Number	MFCD23163928
Molecular Formula	C7H6BrF2NO
Molecular Weight	238.0294
SMILES	COC1=NC=C(Br)C=C1C(F)F
Synonyms	5-bromo-3-(difluoromethyl)-2-methoxypyridine, 1254123-51-7, Pyridine, 5-bromo-3-(difluoromethyl)-2-methoxy-, SCHEMBL9948731, KS-00000DXK, AJNHTTUMXPNNAH-UHFFFAOYSA-N, MFCD23163928, AKOS023601008, ZINC107267710, CS-12296, SY045816, MFCD23163928 (95%),

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.96g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.032g/mol
Monoisotopic Mass	236.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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