AG00F1OI

58349-77-2 | 9-(2-Nitrovinyl)anthracene

AG00F1OI

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CAS Number	58349-77-2
Catalog Number	AG00F1OI(AGN-PC-067V1Y)
Chemical Name	9-(2-Nitrovinyl)anthracene
EC Number	261-220-2
IUPAC Name	9-[(E)-2-nitroethenyl]anthracene
InChI	InChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChI Key	GYOMWYPUMGJROJ-MDZDMXLPSA-N
MDL Number	MFCD00003577
Molecular Formula	C16H11NO2
Molecular Weight	249.2640
SMILES	O=[N+](/C=C/C1=C2C=CC=CC2=CC3=CC=CC=C13)[O-]
Synonyms	(E)-9-(2-nitrovinyl)anthracene, 9-(2-Nitrovinyl)anthracene, 58349-77-2, (E)-9-(2-Nitrovinyl)anthracene, 9-[(E)-2-Nitroethenyl]anthracene, Anthracene, 9-(2-nitrovinyl)-, Anthracene, 9-(2-nitroethenyl)-, AK142319, EINECS 261-220-2, AC1LEJRT, AC1Q1WRP, CHEMBL3105282, SCHEMBL20338596, ZINC55263, 9-(.omega.-Nitrovinyl)anthracene, GYOMWYPUMGJROJ-MDZDMXLPSA-N, 9-((1E)-2-nitrovinyl)anthracene, ANM102948, CCG-54280, MFCD00003577, 9-[(E)-2-Nitroethenyl]anthracene #, AKOS022174774, DS-7513, AJ-09219, ST003148, AX8282180, SR-01000643386, SR-01000643386-1, SR-01000643386-2, 9- anthracene, AR-1H4981, C16-H11-N-O2, CID687332, ZINC00055263, 6008-84-0,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	249.079g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.269g/mol
Monoisotopic Mass	249.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number