AG00DHV3

49674-28-4 | Benzonitrile, 3-amino-5-(trifluoromethyl)-

AG00DHV3

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CAS Number	49674-28-4
Catalog Number	AG00DHV3(AGN-PC-03Q9UC)
Chemical Name	Benzonitrile, 3-amino-5-(trifluoromethyl)-
IUPAC Name	3-amino-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
InChI Key	UMUDGXVSXIXLCF-UHFFFAOYSA-N
MDL Number	MFCD09955455
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	N#CC1=CC(C(F)(F)F)=CC(N)=C1
Synonyms	3-AMINO-5-(TRIFLUOROMETHYL)BENZONITRILE, 49674-28-4, 3-Amino-5-trifluoromethylbenzonitrile, 3-CYANO-5-AMINO-TRIFLUOROTOLUENE, Benzonitrile, 3-amino-5-(trifluoromethyl)-, 3-Amino-5-trifluoromethyl-benzonitrile, 3-Trifluoromethyl-5-amino benzonitrile, 3-AMINO-5-CYANOBENZOTRIFLUORIDE, AK-34614, 3-AMINO-5-(TRIFLUOROMETHYL)BENZENECARBONITRILE, SCHEMBL324895, CIS-(+)-HYDROXY LACTUM, CTK4G5976, KS-00000HUE, UMUDGXVSXIXLCF-UHFFFAOYSA-N, ANW-47050, FCH878823, MFCD09955455, ZINC21981693, trans-3-Amino-5-cyanobenzotrifluoride, AKOS006311949, AN-1593, AS05792, CM12942, CS-W006032, GS-3828, MP-0149, PC49080, RP24608, YF10055, 3-amino-5-(trifluoromethyl)-benzonitrile, AJ-78893, BC226742, CJ-16993, AB0025113, AX8161296, DB-024334, DB-071029, TC-135795, 4CH-002957, FT-0687064, ST24028391, W6521, A21010, AS-813/43501990, I01-6740, J-511659, 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI), C8H5F3N2, 30825-34-4, ACN-050576, trans-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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