AG00628D

686747-51-3 | Methyl 5-nitro-1H-indole-3-carboxylate

AG00628D

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CAS Number	686747-51-3
Catalog Number	AG00628D(AGN-PC-0CUUQW)
Chemical Name	Methyl 5-nitro-1H-indole-3-carboxylate
IUPAC Name	methyl 5-nitro-1H-indole-3-carboxylate
InChI	InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-3-2-6(12(14)15)4-7(8)9/h2-5,11H,1H3
InChI Key	MMDKJGMVXBELQV-UHFFFAOYSA-N
MDL Number	MFCD06204072
Molecular Formula	C10H8N2O4
Molecular Weight	220.1815
SMILES	O=C(C1=CNC2=C1C=C([N+]([O-])=O)C=C2)OC
Synonyms	Methyl 5-nitro-1H-indole-3-carboxylate, 686747-51-3, SCHEMBL615804, CTK8C4036, DTXSID10731550, Methyl 5-Nitroindole-3-carboxylate, 0609AC, ANW-70977, MFCD06204072, ZINC44199965, AKOS016008172, CS-W022871, FS-5272, AK104805, SY058868, AJ-109574, ST2413458, TC-159722, 4CH-016694, FT-0759682, MFCD06204072 (95%), 5-nitro-1h-indole-3-carboxylic acid methyl ester, C10H8N2O4, Methyl5-nitro-1H-indole-3-carboxylate,

Complexity	302
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.048g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.184g/mol
Monoisotopic Mass	220.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number