AG00ECFK

6019-39-2 | 5-benzoylaminoindole

AG00ECFK

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CAS Number	6019-39-2
Catalog Number	AG00ECFK(AGN-PC-0KLKHR)
Chemical Name	5-benzoylaminoindole
IUPAC Name	N-(1H-indol-5-yl)benzamide
InChI	InChI=1S/C15H12N2O/c18-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-16-14/h1-10,16H,(H,17,18)
InChI Key	JCAFGYWSIWYMOX-UHFFFAOYSA-N
MDL Number	MFCD03055811
Molecular Formula	C15H12N2O
Molecular Weight	236.2686
SMILES	O=C(NC1=CC2=C(NC=C2)C=C1)C3=CC=CC=C3
Synonyms	OAC2, N-(1H-indol-5-yl)benzamide, 6019-39-2, OAC-2, 5-benzoylaminoindole, N-1h-indol-5-yl-benzamide, 5-Benzamidoindole, AC1MDO0A, Maybridge3_002618, Oprea1_121826, MLS000860608, SCHEMBL4761937, CHEMBL1464276, EX-A906, JCAFGYWSIWYMOX-UHFFFAOYSA-N, HMS1438G22, HMS2804E03, ZINC155234, BCP15715, KS-00001D2G, MFCD03055811, OAC2, >=97% (HPLC), AKOS013404815, IDI1_014005, AK175881, HY-12884, SMR000458692, FT-0700340, J-690331, 6-[(2-Amino-4-pyrimidinyl)oxy]-N-[3-(trifluoromethyl)phenyl]-1-naphthamide, ZINC00155234, CID2814138, CS-4187, A15931,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.095g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.274g/mol
Monoisotopic Mass	236.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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