AG000VM8

13114-87-9 | N-[3-(Trifluoromethyl)phenyl]urea

AG000VM8

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CAS Number	13114-87-9
Catalog Number	AG000VM8(AGN-PC-0JKICF)
Chemical Name	N-[3-(Trifluoromethyl)phenyl]urea
EC Number	236-040-2
IUPAC Name	[3-(trifluoromethyl)phenyl]urea
InChI	InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChI Key	FQEIBEOBXKJAMZ-UHFFFAOYSA-N
MDL Number	MFCD00025424
Molecular Formula	C8H7F3N2O
Molecular Weight	204.1492
NSC Number	136288
SMILES	O=C(N)NC1=CC=CC(C(F)(F)F)=C1
Synonyms	13114-87-9, 1-(3-(Trifluoromethyl)phenyl)urea, 3-(TRIFLUOROMETHYL)PHENYLUREA, [3-(trifluoromethyl)phenyl]urea, 1-[3-(trifluoromethyl)phenyl]urea, 3-Trifluoromethylphenylurea, N-[3-(trifluoromethyl)phenyl]urea, Urea, [3-(trifluoromethyl)phenyl]-, N-(3-Trifluoromethylphenyl)urea, Urea, N-[3-(trifluoromethyl)phenyl]-, CHEMBL1338939, (3-(Trifluoromethyl)phenyl)urea, Urea, (3-(trifluoromethyl)phenyl)-, Urea,N-[3-(trifluoromethyl)phenyl]-, Urea, N-(3-(trifluoromethyl)phenyl)-, 1-(3-(tri-fluoromethyl)phenyl)urea, 1-[3-(tri-fluoromethyl)phenyl]urea, amino-N-[3-(trifluoromethyl)phenyl]amide, Didemethylfluometuron, EINECS 236-040-2, NSC136288, NSC 136288, 3-Ureidobenzotrifluoride, 3-(alpha,alpha,alpha-Trifluoro-m-tolyl)urea, Urea, (alpha,alpha,alpha-trifluoro-m-tolyl)-, MLS000058790, SCHEMBL167618, AC1L19L6, (3-trifluoromethyl-phenyl)-urea, DTXSID0065355, CTK4B7110, FQEIBEOBXKJAMZ-UHFFFAOYSA-N, 3-(Carbamoylamino)benzotrifluoride, HMS2401M04, KS-00000NC2, ZINC1232422, N-[3-(trifluoro-methyl)phenyl]urea, ANW-57646, BBL004905, BDBM50427553, HTS000746, MFCD00025424, SBB023416, STK350561, AKOS000161408, MCULE-8155446697, NSC-136288, PS-6612, SDCCGMLS-0020472.P002, VZ34965, AJ-25126, AK-57546, SMR000069055, ZB016091, Urea,.alpha.,.alpha.-trifluoro-m-tolyl)-, DB-042004, LS-192913, TC-146391, 3-(.alpha.,.alpha.-Trifluoro-m-tolyl)urea, CS-0037972, FT-0613956, H2431, ST45138471, SR-01000197063, SR-01000197063-1, C8H7F3N2O, C8-H7-F3-N2-O, CID25712,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.152g/mol
Monoisotopic Mass	204.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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