AG008S2S

1040377-02-3 | 4-Bromo-1-tetrahydro-2H-pyran-4-yl-1H-pyrazole

AG008S2S

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CAS Number	1040377-02-3
Catalog Number	AG008S2S(AGN-PC-08YS3Q)
Chemical Name	4-Bromo-1-tetrahydro-2H-pyran-4-yl-1H-pyrazole
IUPAC Name	4-bromo-1-(oxan-4-yl)pyrazole
InChI	InChI=1S/C8H11BrN2O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4H2
InChI Key	WRDSDCYKWVXMRY-UHFFFAOYSA-N
MDL Number	MFCD11505042
Molecular Formula	C8H11BrN2O
Molecular Weight	231.0897
SMILES	BrC1=CN(N=C1)C1CCOCC1
Synonyms	1040377-02-3, 4-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole, 4-BROMO-1-(OXAN-4-YL)-1H-PYRAZOLE, 4-Bromo-1-tetrahydro-2H-pyran-4-yl-1H-pyrazole, SCHEMBL1581953, CTK5I9008, KS-00003TNL, DTXSID30679703, WRDSDCYKWVXMRY-UHFFFAOYSA-N, 0947AA, ANW-64831, MFCD11505042, SBB054440, ZINC40448059, AKOS013251811, TS-03288, AJ-102561, TC-153576, 4-Bromo-1-(tetrahydro-pyran-4-yl)-1H-pyrazole, 4-(4-bromopyrazolyl)-2H-3,4,5,6-tetrahydropyran, 4-bromo-1-(tetrahydro-2H-pyran-4yl)-1H-pyrazole, F2147-4242, C8H11BrN2O,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.005g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.093g/mol
Monoisotopic Mass	230.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	27A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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