AG00IMMY

1956355-82-0 | Methyl 4-methyl-7-nitro-1H-indole-2-carboxylate

AG00IMMY

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CAS Number	1956355-82-0
Catalog Number	AG00IMMY(AGN-PC-0WD3E5)
Chemical Name	Methyl 4-methyl-7-nitro-1H-indole-2-carboxylate
IUPAC Name	methyl 4-methyl-7-nitro-1H-indole-2-carboxylate
InChI	InChI=1S/C11H10N2O4/c1-6-3-4-9(13(15)16)10-7(6)5-8(12-10)11(14)17-2/h3-5,12H,1-2H3
InChI Key	LYRMZXFSKCGQAD-UHFFFAOYSA-N
MDL Number	MFCD27922872
Molecular Formula	C11H10N2O4
Molecular Weight	234.2081
SMILES	O=C(C(N1)=CC2=C1C([N+]([O-])=O)=CC=C2C)OC
Synonyms	Methyl 4-methyl-7-nitro-1H-indole-2-carboxylate, 1956355-82-0, MFCD27922872, ZINC95830374, DS-6089, AK138733, AJ-134516, AX8260336,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.064g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.211g/mol
Monoisotopic Mass	234.064g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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