AG000TUX

130-00-7 | Benz[CD]indol-2(1H)-one

AG000TUX

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CAS Number	130-00-7
Catalog Number	AG000TUX(AGN-PC-0JL7OF)
Chemical Name	Benz[CD]indol-2(1H)-one
EC Number	204-973-4
IUPAC Name	1H-benzo[cd]indol-2-one
InChI	InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChI Key	GPYLCFQEKPUWLD-UHFFFAOYSA-N
MDL Number	MFCD00009748
Molecular Formula	C11H7NO
Molecular Weight	169.1794
NSC Number	25094
SMILES	O=C1NC2=C3C1=CC=CC3=CC=C2
Synonyms	benz(cd)indol-2(1H)-one, naphtholactam, Benzo[cd]indol-2(1H)-one, Benz[cd]indol-2(1H)-one, 130-00-7, Naphthostyril, 1,8-Naphtholactam, Naphtholactam, Naftostiril, 2(1H)-Perinaphthazolone, Benz(cd)indol-2(1H)-one, 1,2-dihydrobenzo[cd]indol-2-one, NSC 25094, 1,8-Naphthostyril, EINECS 204-973-4, 1-Naphthalenecarboxylic acid, 8-amino-, lactam, 2(1H)-peri-Naphthazolone, AI3-16690, GPYLCFQEKPUWLD-UHFFFAOYSA-N, F1113-0546, 2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-one, 1,8-naphthaolactam, ACMC-1BQIQ, AC1Q6GRT, AC1Q6NJE, 1H-Benz[cd]indol-2-one, EC 204-973-4, Benz[cd]indole-2(1H)-one, benz[cd]-indol-2(1H)-one, benz[cd]indol-2-(1H)-one, KSC177I7D, SCHEMBL302763, Benzo[cd]indol-2(1H);-one, AC1L273K, CHEMBL217045, DTXSID5059610, CTK0H7471, KS-00000WXV, HMS1771P10, ZINC162129, NSC25094, 1-Naphthalenecarboxylic acid, lactam, ANW-19154, MFCD00009748, NSC-25094, SBB056349, STL363233, AKOS000119151, MCULE-8924794461, PS-4441, RP23154, RTC-067547, 12B, AC-19763, AJ-15888, AN-43647, K913, LS-33479, AB1011898, Benz[cd]indol-2(1H)-one, technical grade, DB-004842, ST2406645, TC-067547, B3023, EU-0068153, FT-0658551, ST50439406, EN300-17251, 30B007, B-2090, SR-01000400053, I14-5709, Q-200094, SR-01000400053-1, Z56899189, 2-azatricyclo[6.3.1.0,(1)(2)]dodeca-1(12),4,6,8,10-pentaen-3-one, 2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-3-one, 2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one, InChI=1/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13, C11H7NO, C11-H7-N-O, CID67222, AR-1H7845, BENZ(CD)INDOL-2(1H)-ONE, TECH., Benzo[cd]indol-2(1H)-one, 97% - 5G 5g, 130905-04-3,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.183g/mol
Monoisotopic Mass	169.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number