AG002UNC

27746-02-7 | 1H-Pyrrole-2-carboxylic acid, 4-bromo-

AG002UNC

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CAS Number	27746-02-7
Catalog Number	AG002UNC(AGN-PC-0KKBA7)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 4-bromo-
IUPAC Name	4-bromo-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChI Key	YUWKEVJEMKKVGQ-UHFFFAOYSA-N
MDL Number	MFCD00832862
Molecular Formula	C5H4BrNO2
Molecular Weight	189.9948
SMILES	OC(=O)C1=CC(Br)=CN1
Synonyms	4-bromo-1H-pyrrole-2-carboxylic Acid, 27746-02-7, 4-Bromopyrrole-2-carboxylic acid, 1H-Pyrrole-2-carboxylic acid, 4-bromo-, 1H-Pyrrole-2-carboxylicacid,4-bromo-, AC1MCDGF, ACMC-1CEJU, AC1Q72YV, KSC207A8H, SCHEMBL1928760, 4-Bromopyrrole-2-carboxylicacid, CTK1A7083, DTXSID30372424, YUWKEVJEMKKVGQ-UHFFFAOYSA-N, ACT04486, BCP29213, CS-D0459, KS-00000O0J, ZINC4218180, ANW-26264, CL2806, MFCD00832862, RW1217, SBB091024, 4-Bromo-1H-pyrrole-2-carboxylicacid, AKOS001108081, CB-3242, HB-0734, MCULE-5413993794, QC-3287, RP03677, RTR-012380, TRA0061222, 1H-Pyrrole-2-carboxylicacid, 4-bromo-, 4-Bromopyrrole-2-carboxylic acid, 95%, AC-23216, AJ-49021, AK-27737, BR-27737, SC-96016, SY110044, AB0008671, DB-006680, ST2411148, TR-012380, AM20090350, FT-0081090, FT-0638720, EN300-14260, MFCD00832862 (97%), B65147, M-2415, J-514553, Z99599696, InChI=1/C5H4BrNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9, C5H4BrNO2, CID2741381, C2781,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.943g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.996g/mol
Monoisotopic Mass	188.943g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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