AG00CTBL

39209-94-4 | 4,5-Dichloro-1H-pyrrole-2-carboxylic acid

AG00CTBL

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CAS Number	39209-94-4
Catalog Number	AG00CTBL(AGN-PC-00UXJ9)
Chemical Name	4,5-Dichloro-1H-pyrrole-2-carboxylic acid
IUPAC Name	4,5-dichloro-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C5H3Cl2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
InChI Key	MNMMKOBJLQMWLQ-UHFFFAOYSA-N
MDL Number	MFCD08691218
Molecular Formula	C5H3Cl2NO2
Molecular Weight	179.9888
SMILES	ClC=1C=C(NC1Cl)C(=O)O
Synonyms	4,5-Dichloro-1H-pyrrole-2-carboxylic acid, 39209-94-4, 1H-Pyrrole-2-carboxylic acid, 4,5-dichloro-, 4,5-Dichloropyrrole-2-carboxylic acid, AC1Q72ZA, SCHEMBL2940426, CHEMBL1173717, CTK4I1107, DTXSID10585419, MNMMKOBJLQMWLQ-UHFFFAOYSA-N, ZINC9256695, MFCD08691218, AKOS000119235, MCULE-8176278880, NE17452, NCGC00341600-01, AJ-59445, BS-13203, CS-0060159, FT-0742690, EN300-26125, D80185, AB01333760-02, Z221429206, 4,5-DICHLORO-1H-PYRROLE-2-CARBOXYLICACID,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.954g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.984g/mol
Monoisotopic Mass	178.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number