AG003CYC

5044-24-6 | 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole

AG003CYC

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CAS Number	5044-24-6
Catalog Number	AG003CYC(AGN-PC-0KKA1E)
Chemical Name	1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole
IUPAC Name	1-(4-bromophenyl)-2,5-dimethylpyrrole
InChI	InChI=1S/C12H12BrN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
InChI Key	OURHFEVMTCZQLA-UHFFFAOYSA-N
MDL Number	MFCD00277042
Molecular Formula	C12H12BrN
Molecular Weight	250.1344
SMILES	CC1=CC=C(C)N1C2=CC=C(Br)C=C2
Synonyms	1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole, 5044-24-6, 1-(4-Bromophenyl)-2,5-dimethylpyrrole, 1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole, MFCD00277042, Akos Bb-3545, AC1MCAOG, ACMC-209kmk, bromophenyldimethylpyrrole, AC1Q2JJN, AC1Q2JJO, Maybridge1_007386, SCHEMBL1773257, CTK4J2627, HMS562H16, DTXSID30372323, OURHFEVMTCZQLA-UHFFFAOYSA-N, ZINC107603, ANW-31002, BBL025803, SBB079457, STL381762, AKOS000285808, MCULE-7304965555, RP14246, KS-0000132F, AJ-11267, ZB003636, TC-069682, B2636, FT-0083374, FT-0651398, ST50408708, V6260, EN300-04838, 1H-Pyrrole,1-(4-bromophenyl)-2,5-dimethyl-, K-9337, 044B246, 8W-0354, J-503248, I14-12847, I14-12848, Z55892013, C12H12BrN, ZINC00107603, CID2739609,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.139g/mol
Monoisotopic Mass	249.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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