AG003KTQ

7042-71-9 | 4-Benzyloxyindole-3-carbaldehyde

AG003KTQ

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CAS Number	7042-71-9
Catalog Number	AG003KTQ(AGN-PC-0LW6TO)
Chemical Name	4-Benzyloxyindole-3-carbaldehyde
IUPAC Name	4-phenylmethoxy-1H-indole-3-carbaldehyde
InChI	InChI=1S/C16H13NO2/c18-10-13-9-17-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChI Key	WURDDLFAUSUSLT-UHFFFAOYSA-N
MDL Number	MFCD00152002
Molecular Formula	C16H13NO2
Molecular Weight	251.2799
SMILES	C1=CC=C(C2=C1[NH]C=C2C=O)OCC3=CC=CC=C3
Synonyms	7042-71-9, 4-Benzyloxyindole-3-carboxaldehyde, 4-BENZYLOXYINDOLE-3-CARBALDEHYDE, 4-(benzyloxy)-1H-indole-3-carbaldehyde, 4-phenylmethoxy-1H-indole-3-carbaldehyde, MFCD00152002, 4-benzyloxy-3-formylindole, MLS001359939, AK-16421, SMR001224350, 4-phenylmethoxy-1H-indole-3-carboxaldehyde, B-1850, 4-(phenylmethoxy)indole-3-carbaldehyde, 4-Benayloxyindole-3-carboxaldehyde, PubChem7231, ACMC-1BCM9, SCHEMBL1419107, CHEMBL1562368, BDBM78438, cid_7015846, CTK5D2379, DTXSID40426780, WURDDLFAUSUSLT-UHFFFAOYSA-N, HMS3036F24, ACN-S002850, ACT03553, KS-000024HP, ZINC2517164, ZX-AT008269, 4-benzoxy-1H-indole-3-carbaldehyde, ANW-35902, CB-198, OR1672, SBB005317, 4-benzyloxy-1H-indole-3-carbaldehyde, AKOS005206842, ACN-025052, AN-5518, DS-0064, MCULE-5884655716, TRA0067463, VI30218, AC-22686, AJ-37043, AM804257, BR-16421, CC-18068, CJ-08747, SC-06421, ST080602, AB0010871, AX8008701, DB-001571, ST2418127, TC-060657, 4CH-015575, A9290, FT-0617669, 1H-Indole-3-carboxaldehyde,4-(phenylmethoxy)-, 4-Benzyloxyindole-3-carboxaldehyde, AldrichCPR, M-5093, 042B719, A836881, C-15507, I01-2839, C16H13NO2, ZINC02517164, CID7015846,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.095g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.285g/mol
Monoisotopic Mass	251.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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