AG002ZWS

303727-31-3 | Phenol, 2-chloro-5-[2-phenyl-4-(4-pyridinyl)-1H-imidazol-5-yl]-

AG002ZWS

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CAS Number	303727-31-3
Catalog Number	AG002ZWS(AGN-PC-0MW6VO)
Chemical Name	Phenol, 2-chloro-5-[2-phenyl-4-(4-pyridinyl)-1H-imidazol-5-yl]-
IUPAC Name	2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol
InChI	InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
InChI Key	WXJLXRNWMLWVFB-UHFFFAOYSA-N
MDL Number	MFCD12828750
Molecular Formula	C20H14ClN3O
Molecular Weight	347.7977
SMILES	OC1=CC(C2=C(C3=CC=NC=C3)NC(C4=CC=CC=C4)=N2)=CC=C1Cl
Synonyms	L-779,450, 303727-31-3, L-779450, L-779,450, 2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol, 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol, L779450, CHEMBL373011, 2-Chloro-5-[2-phenyl-5-(4-pyridinyl)-1H-imidazol-4-yl]phenol, C20H14ClN3O, L 779450, 2-chloro-5-[2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl]phenol, 2-chloro-5-(2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl)phenol, 2-chloro-5-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, compound 1 [PMID:18346893], 2-(Phenyl)-4-(3-hydroxy-4-chlorophenyl)-5-(4-pyridyl)-1H-imidazole, MLS006010771, GTPL9129, SCHEMBL7643418, SCHEMBL12856388, BDBM26041, CHEBI:93773, CTK1B3369, AOB5932, DTXSID40433252, EX-A705, BCP15172, KS-00001D0R, MFCD12828750, ZINC28563889, AKOS016011644, compound 2 [PMID: 16260133], CS-4047, MP-2038, NCGC00346304-02, NCGC00346304-04, AJ-83545, BC200095, HY-12787, SMR004701460, AB0109214, AX8159843, RT-013492, B7307, FT-0670694, ST24027910, Z4580, EC-000.2415, L-779450, >=98% (HPLC), L-79450, J-017933, L-779 450, 4-(4-Chloro-3-hydroxyphenyl)-2-phenyl-5-(4-pyridyl)-1H-imidazole, Phenol, 2-chloro-5-[2-phenyl-4-(4-pyridinyl)-1H-imidazol-5-yl]-, Phenol, 2-chloro-5-[2-phenyl-5-(4-pyridinyl)-1H-imidazol-4-yl]-, D06WJA, 3,4,5-TRIMETHOXYCINNAMIC ACID, CID9950176, A13525,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	347.083g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	347.802g/mol
Monoisotopic Mass	347.083g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310+P330-P304+P340+P312-P305+P351+P338-P337+P313
UN Code	UN 2811

Certificate of Analysis

Lot Number