AG003QBT

37033-95-7 | Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate

AG003QBT

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CAS Number	37033-95-7
Catalog Number	AG003QBT(AGN-PC-0JM1FX)
Chemical Name	Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
EC Number	253-322-0
IUPAC Name	ethyl 5-phenylmethoxy-1H-indole-2-carboxylate
InChI	InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3
InChI Key	DCIFXYFKVKDOLL-UHFFFAOYSA-N
MDL Number	MFCD00022702
Molecular Formula	C18H17NO3
Molecular Weight	295.3325
NSC Number	30931
SMILES	O=C(C(N1)=CC2=C1C=CC(OCC3=CC=CC=C3)=C2)OCC
Synonyms	37033-95-7, Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate, Ethyl 5-benzyloxyindole-2-carboxylate, 5-Benzyloxy-2-carbethoxyindole, 5-Benzyloxyindole-2-carboxylic acid ethyl ester, Ethyl 5-(benzyloxy)indole-2-carboxylate, 5-Benzyloxyindole-2-carboxylic acid ethylester, DCIFXYFKVKDOLL-UHFFFAOYSA-N, Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate, MFCD00022702, 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid ethyl ester, B-2000, 5-benzyloxyindole-2-carboxylic acid*ethyl ester C, 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-, ethyl ester, ethyl 5-(phenylmethoxy)indole-2-carboxylate, NSC30931, EINECS 253-322-0, Ethyl5-Benzyloxyindole-2-Carboxylate, AC1L3UYI, Maybridge1_002130, ACMC-209xa3, AC1Q64WS, Oprea1_318854, SCHEMBL710398, CTK3J5839, HMS547I18, ZINC78411, DTXSID20190538, ACT02527, ALBB-007608, ZX-AT003586, ANW-47401, CE-237, MFCD04378792, NSC-30931, OR1508, SBB048921, STK028593, AKOS001748204, AC-9375, AN-7070, CCG-235244, MCULE-7048640025, RTR-015084, TRA0056661, VI30255, ACM37033957, AJ-10457, AS-47522, BC204567, BR-39284, CC-21214, ZB002804, ethyl 5-benzyloxy-1H-indole-2-carboxylate, AX8016861, DB-016945, ST4045972, TR-015084, A6374, BB 0253718, FT-0620043, FT-0626280, ST24030631, W5816, ethyl 5-phenylmethoxy-1H-indole-2-carboxylate, S-6466, Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate #, 033E957, C-18511, 5-Benzyloxy-1H-indole-2-carboxylic acid ethyl ester, ethyl 5-[(phenylmethyl)oxy]-1H-indole-2-carboxylate, I14-10637, 5-(Benzyloxy)-1H-indole-2-carboxylic acid ethyl ester, A2001/0084083, Methyltributylammonium bromide, C18H17NO3, CID95721, AR-1I9343, C18-H17-N-O3, ACN-041730, [3-(Furan-2-carbonyl)-indol-1-yl]-acetic acid, 38906-43-3,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.121g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	295.338g/mol
Monoisotopic Mass	295.121g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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