AG00H02K

914349-64-7 | 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine

AG00H02K

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CAS Number	914349-64-7
Catalog Number	AG00H02K(AGN-PC-07A1G6)
Chemical Name	1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine
IUPAC Name	1-[bis(4-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
InChI	InChI=1S/C24H23F2N3O2/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)28-15-13-27(14-16-28)17-18-1-11-23(12-2-18)29(30)31/h1-12,24H,13-17H2
InChI Key	BLAMRGGBDBVKNR-UHFFFAOYSA-N
MDL Number	MFCD06797793
Molecular Formula	C24H23F2N3O2
Molecular Weight	423.4551
SMILES	FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)N1CCN(CC2C=CC(=CC=2)[N+](=O)[O-])CC1
Synonyms	914349-64-7, 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine, 1-(Bis(4-fluorophenyl)methyl)-4-(4-nitrobenzyl)piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine, CTK7B9887, KS-00000HKX, DTXSID30661709, C24H23F2N3O2, ANW-52264, MFCD06797793, ZINC91290470, AKOS015853515, DS-0179, AJ-91959, AK-21739, BR-21739, AX8159498, DB-001858, TR-028807, 4CH-008292, FT-0749701, ST24026945, W9460, S-2914,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	423.176g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	423.464g/mol
Monoisotopic Mass	423.176g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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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