AG007G9O

154371-25-2 | 1-(3-Chloro-4-fluorophenyl)-2-thiourea

AG007G9O

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CAS Number	154371-25-2
Catalog Number	AG007G9O(AGN-PC-0JV6UG)
Chemical Name	1-(3-Chloro-4-fluorophenyl)-2-thiourea
IUPAC Name	(3-chloro-4-fluorophenyl)thiourea
InChI	InChI=1S/C7H6ClFN2S/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)
InChI Key	OVJVZVPEMXLKOE-UHFFFAOYSA-N
MDL Number	MFCD01571081
Molecular Formula	C7H6ClFN2S
Molecular Weight	204.6523
SMILES	S=C(N)NC1=CC=C(F)C(Cl)=C1
Synonyms	154371-25-2, (3-chloro-4-fluorophenyl)thiourea, 3-chloro-4-fluorophenylthiourea, (3-Chloro-4-fluoro-phenyl)-thiourea, 1-(3-Chloro-4-fluorophenyl)-2-thiourea, N-(3-chloro-4-fluorophenyl)thiourea, 1-(3-chloro-4-fluorophenyl)thiourea, C7H6ClFN2S, AC1LE158, AC1Q502U, SCHEMBL3299680, 4-fluoro-3-chlorophenylthiourea, CTK0B0996, KS-00003HRI, ZINC88828, DTXSID20351607, OVJVZVPEMXLKOE-UHFFFAOYSA-N, HMS1762F02, HTS001871, MFCD01571081, SBB093380, STL510500, AKOS001063428, BS-4152, CCG-245853, MCULE-3718999331, Thiourea, (3-chloro-4-fluorophenyl)-, SC-64697, RT-005463, EN300-06323, K-4876, 1-(3-Chloro-4-fluorophenyl)thiourea, AldrichCPR, SR-01000044252, SR-01000044252-1, amino[(3-chloro-4-fluorophenyl)amino]methane-1-thione, CID704698, ZINC00088828, C3137,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.992g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.647g/mol
Monoisotopic Mass	203.992g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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