AG003NKC

54117-37-2 | 9-Benzyl-3-formylcarbazole

AG003NKC

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CAS Number	54117-37-2
Catalog Number	AG003NKC(AGN-PC-0KP49E)
Chemical Name	9-Benzyl-3-formylcarbazole
IUPAC Name	9-benzylcarbazole-3-carbaldehyde
InChI	InChI=1S/C20H15NO/c22-14-16-10-11-20-18(12-16)17-8-4-5-9-19(17)21(20)13-15-6-2-1-3-7-15/h1-12,14H,13H2
InChI Key	GSNXZYWQXATWRX-UHFFFAOYSA-N
MDL Number	MFCD00403522
Molecular Formula	C20H15NO
Molecular Weight	285.3392
SMILES	O=CC1=CC2=C(C=C1)N(CC3=CC=CC=C3)C4=C2C=CC=C4
Synonyms	9-Benzyl-9H-carbazole-3-carbaldehyde, 54117-37-2, 9-Benzyl-3-formylcarbazole, 9-Benzylcarbazole-3-carboxaldehyde, 9-benzylcarbazole-3-carbaldehyde, MFCD00403522, AC1MJGFY, BAS 00119449, ACMC-209ld9, Oprea1_240868, Oprea1_500323, SCHEMBL689666, CTK4J9666, DTXSID60389080, GSNXZYWQXATWRX-UHFFFAOYSA-N, KS-000013HV, ZINC3151008, ANW-31963, AKOS000733313, MCULE-2074640139, AK202302, TR-019137, B2804, F8880-3647, I14-107682, CID3091534,

Complexity	389
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.115g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	285.346g/mol
Monoisotopic Mass	285.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number