AG000EGG

114468-05-2 | Pyridine, 3-bromo-4-(difluoromethyl)-

AG000EGG

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CAS Number	114468-05-2
Catalog Number	AG000EGG(AGN-PC-0JU7AJ)
Chemical Name	Pyridine, 3-bromo-4-(difluoromethyl)-
IUPAC Name	3-bromo-4-(difluoromethyl)pyridine
InChI	InChI=1S/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H
InChI Key	KCMMLUVZVBBEFO-UHFFFAOYSA-N
MDL Number	MFCD18257232
Molecular Formula	C6H4BrF2N
Molecular Weight	208.0035
SMILES	FC(C1=C(Br)C=NC=C1)F
Synonyms	3-bromo-4-(difluoromethyl)pyridine, 114468-05-2, pyridine, 3-bromo-4-(difluoromethyl)-, AC1LD0S5, SCHEMBL3782423, CTK8G6091, DTXSID70348744, 3-bromo-4-difluoromethyl-pyridine, KCMMLUVZVBBEFO-UHFFFAOYSA-N, 9491AC, BBL101559, MFCD18257232, STL555355, ZINC32299483, AKOS005259970, FCH1365558, VP12642, AJ-85204, AK150403, AX8287560, FT-0683864, I02-3907, InChI=1/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6, C6H4BrF2N, CID640481, Pyridine, 3-bromo-4-(difluoromethyl)- (9CI),

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.95g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.006g/mol
Monoisotopic Mass	206.95g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number