AG003RRV

226410-00-0 | Methyl 3-chloro-1H-pyrrole-2-carboxylate

AG003RRV

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CAS Number	226410-00-0
Catalog Number	AG003RRV(AGN-PC-0LQ1G8)
Chemical Name	Methyl 3-chloro-1H-pyrrole-2-carboxylate
IUPAC Name	methyl 3-chloro-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C6H6ClNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H3
InChI Key	YFKTWBUEAJFGRQ-UHFFFAOYSA-N
MDL Number	MFCD20661619
Molecular Formula	C6H6ClNO2
Molecular Weight	159.5703
SMILES	COC(=O)C1=C(Cl)C=CN1
Synonyms	Methyl 3-chloro-1H-pyrrole-2-carboxylate, 226410-00-0, METHYL 3-CHLOROPYRROLE-2-CARBOXYLATE, 1H-Pyrrole-2-carboxylic acid, 3-chloro-, methyl ester, 3-chloro-1h-pyrrole-2-carboxylic acid methyl ester, AC1NT5D2, SCHEMBL257478, DTXSID50415923, YFKTWBUEAJFGRQ-UHFFFAOYSA-N, BCP07269, MFCD20661619, ZINC33835502, AKOS016009301, ACN-025087, CS-W003912, FS-3742, PB31974, TRA0009461, KS-000007A2, AJ-86364, AK109924, CJ-18110, DA-18814, SY019982, AB0058161, ST2413347, TC-308489, 4CH-011351, FT-0760490, Z4450, Q-2890, MFCD20661619 (97+%), InChI=1/C6H6ClNO2/c1-10-6(9)5-4(7)2-3-8-5/h2-3,8H,1H, C6H6ClNO2, CID5324605, 1469-48-3,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.569g/mol
Monoisotopic Mass	159.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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