AG00DABH

501925-31-1 | N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA

AG00DABH

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CAS Number	501925-31-1
Catalog Number	AG00DABH(AGN-PC-0JOT1G)
Chemical Name	N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA
IUPAC Name	1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
InChI	InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
InChI Key	CEIIEALEIHQDBX-UHFFFAOYSA-N
MDL Number	MFCD00095313
Molecular Formula	C13H14ClN3O4
Molecular Weight	311.7210
NSC Number	216666
SMILES	O=C(NC1=CC(Cl)=C(C=C1OC)OC)NC2=NOC(C)=C2
Synonyms	1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea, PNU 120596, PNU-120596, PNU120596, 501925-31-1, PNU-120596, 1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea, PNU 120596, PNU120596, NSC 216666, N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA, CHEMBL257591, 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea, MFCD00095313, NSC-216666, NSC216666, PNU-120,596, AC1L7J8I, MLS006011232, GTPL3991, SCHEMBL1458637, CHEBI:93263, CTK8B6753, EX-A428, BCPP000102, HMS3269K15, HMS3656N05, HMS3677D11, BCP02434, KS-00000XK0, ZINC1753799, ABP000345, ANW-54242, BDBM50374402, s2629, AKOS015999696, CS-0415, QC-2740, SB19525, NCGC00167746-01, 4CA-1034, AJ-31474, AK-93003, CJ-29661, HY-12152, SC-86187, SMR004702992, AB0007929, PNU120596/PNU-120596, RT-015080, ST2403231, FT-0644766, SW219242-1, X7583, A11203, A25482, W-5077, PNU-120596, >=98% (HPLC), BRD-K71731651-001-01-9, N-(5-Chloro-2,4-dimethoxphenyl)-N'-(5-methyl-3-isoxazolyl)-urea, N-(5-Chloro-2,4-dimethoxphenyl)-N'-(5-methyl-3-isoxazolyl)urea, PNU 120596, PNU-120596, 501925-31-1, 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea, 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea., Urea, N-(5-chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-, D03FPQ, C13H14ClN3O4, cc-255, CEIIEALEIHQDBX-UHFFFAOYSA-N, CID311434, B1615, P-350, C508388,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.067g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	311.722g/mol
Monoisotopic Mass	311.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	85.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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