AG003RUN

934-05-4 | Methyl 4-bromo-1H-pyrrole-2-carboxylate

AG003RUN

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CAS Number	934-05-4
Catalog Number	AG003RUN(AGN-PC-0KKPN3)
Chemical Name	Methyl 4-bromo-1H-pyrrole-2-carboxylate
IUPAC Name	methyl 4-bromo-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChI Key	ZXFCRVGOHJHZNF-UHFFFAOYSA-N
MDL Number	MFCD00832855
Molecular Formula	C6H6BrNO2
Molecular Weight	204.0213
SMILES	COC(=O)C1=CC(Br)=CN1
Synonyms	methyl 4-bromo-1H-pyrrole-2-carboxylate, 934-05-4, Methyl 4-bromopyrrole-2-carboxylate, 4-Bromo-2-(methoxycarbonyl)-1H-pyrrole, 4-BROMO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER, METHYL4-BROMO-1H-PYRROLE-2-CARBOXYLATE, 4-BROMOPYRROLE-2-CARBOXYLIC ACID METHYL ESTER, MFCD00832855, 1H-Pyrrole-2-carboxylic acid, 4-bromo-, methyl ester, PubChem13045, ACMC-209rlm, AC1MC8J6, AC1Q42ZF, KSC497G1P, SCHEMBL519390, 4-bromo-2-methoxycarbonylpyrrole, CTK3J7317, DTXSID70377039, ZXFCRVGOHJHZNF-UHFFFAOYSA-N, ACN-S004193, ACT01690, EBD11642, KS-000008AN, ZINC3883635, ANW-40040, BBL101189, CL2807, RW3846, SBB053897, STL554985, WT1337, methyl-4-bromo-pyrrole-2-carboxylate, AKOS005070081, CM-1458, CS-W007392, LS20815, MCULE-8238067033, PB29127, QC-3288, RP04445, RTR-038462, TRA0071703, VP60103, AJ-46826, AK-23914, AN-12798, BC003715, BR-23914, CJ-11127, EN001513, SC-48924, SY007031, AB0002195, AB1000853, DB-007677, ST2413391, TR-038462, 4CH-011811, AM20120349, FT-0080402, FT-0602246, M2583, ST50949735, V0694, EN300-35882, B-5210, M50075, 934-05-4 methyl 4-bromopyrrole-2-carboxylate, MFCD00832855 (97+%), 1Y-0815, 934M054, I11-0059, J-522315, null, C6H6BrNO2, ZINC03883635, CID2763594, A11003, 2-Methylbenzoyl chloride; o-Toluenecarbonyl chloride, Methyl 4-bromo-1H-pyrrole-2-carboxylate, 98% - 1G 1g,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.958g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.023g/mol
Monoisotopic Mass	202.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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