AG003KV4

95162-14-4 | 4-Bromo-1-trityl-1H-pyrazole

AG003KV4

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CAS Number	95162-14-4
Catalog Number	AG003KV4(AGN-PC-0NBCP4)
Chemical Name	4-Bromo-1-trityl-1H-pyrazole
IUPAC Name	4-bromo-1-tritylpyrazole
InChI	InChI=1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key	CPENTLJGGGSVAJ-UHFFFAOYSA-N
MDL Number	MFCD09907863
Molecular Formula	C22H17BrN2
Molecular Weight	389.2878
SMILES	BrC1=CN(N=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonyms	4-BROMO-1-TRITYL-1H-PYRAZOLE, 95162-14-4, 4-Bromo-1-tritylpyrazole, 4-bromo-1-(triphenylmethyl)-1H-pyrazole, 1H-Pyrazole, 4-bromo-1-(triphenylmethyl)-, MFCD09907863, AK-89569, 1H-PYRAZOLE,4-BROMO-1-(TRIPHENYLMETHYL)-, N-trityl-4-bromopyrazole, 4-bromo-1-N-tritylpyrazole, SCHEMBL511015, 1-Trityl-4-bromo-1H-pyrazole, 4-bromo-1-trityl-1-H-pyrazole, CTK5H7429, KS-00000DQY, DTXSID90445567, CPENTLJGGGSVAJ-UHFFFAOYSA-N, ZX-AV000927, 6345AC, ANW-56975, QC-568, RB3227, ZINC44154483, AKOS016002521, AM62736, AS-9018, TRA0007730, OR111071, SC-33177, SY023837, AB0002294, AJ-109454, AX8094706, TC-145720, 4CH-021394, FT-0699260, ST24043328, MFCD09907863 (95%), W-4269, 4-bromo-1-trityl-pyrazole, C22H17BrN2, CID10834188,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	388.058g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	389.296g/mol
Monoisotopic Mass	388.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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