AG001YF1

168966-54-9 | 1,2-Diamino-3,4,5-trifluorobenzene

AG001YF1

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CAS Number	168966-54-9
Catalog Number	AG001YF1(AGN-PC-0KKVTB)
Chemical Name	1,2-Diamino-3,4,5-trifluorobenzene
IUPAC Name	3,4,5-trifluorobenzene-1,2-diamine
InChI	InChI=1S/C6H5F3N2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2
InChI Key	WWDBSPRMQHYOOQ-UHFFFAOYSA-N
MDL Number	MFCD01569524
Molecular Formula	C6H5F3N2
Molecular Weight	162.1125
SMILES	NC1=CC(F)=C(F)C(F)=C1N
Synonyms	3,4,5-trifluorobenzene-1,2-diamine, 168966-54-9, 1,2-Benzenediamine, 3,4,5-trifluoro-, 1,2-Diamino-3,4,5-trifluorobenzene, 3,4,5-trifluoro-1,2-phenylenediamine, AC1MCNPW, SCHEMBL899953, CTK0E5141, DTXSID60378797, WWDBSPRMQHYOOQ-UHFFFAOYSA-N, ZINC2574886, MFCD01569524, SBB087575, AKOS025117069, 1,2-diamino-3,4,5-trifluoro-benzene, 3,4,5-Trifluorophenylen-1,2-diamine, AK439989, DS-18804, ZINC02574886, CID2773958, 1,2-Benzenediamine, 3,4,5-trifluoro- (9CI),

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.115g/mol
Monoisotopic Mass	162.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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