AG0084W7

107302-22-7 | 1-(3-Bromophenyl)-1H-pyrrole

AG0084W7

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CAS Number	107302-22-7
Catalog Number	AG0084W7(AGN-PC-0JU8B6)
Chemical Name	1-(3-Bromophenyl)-1H-pyrrole
IUPAC Name	1-(3-bromophenyl)pyrrole
InChI	InChI=1S/C10H8BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H
InChI Key	LEUXOIBRUWVBGM-UHFFFAOYSA-N
MDL Number	MFCD02665243
Molecular Formula	C10H8BrN
Molecular Weight	222.0812
SMILES	BrC1=CC(N2C=CC=C2)=CC=C1
Synonyms	1-(3-bromophenyl)-1H-pyrrole, 107302-22-7, 1-(3-bromophenyl)pyrrole, 1-(3-Bromo-phenyl)-1H-pyrrole, 1H-Pyrrole,1-(3-bromophenyl)-, 1H-pyrrole, 1-(3-bromophenyl)-, (3-bromophenyl)pyrrole, AC1LD5UW, ACMC-20c3o3, 3-(1-pyrrolyl)bromobenzene, SCHEMBL267354, CTK4A5347, DTXSID50349072, LEUXOIBRUWVBGM-UHFFFAOYSA-N, ZINC158962, KS-00000G3K, BBL022267, MFCD02665243, SBB096245, STK197119, AKOS000126851, MCULE-4246254398, RP05219, RTC-069684, WT82455, AJ-15425, AK123912, AN-33791, SC-58318, ZB007156, 1-(3-bromophenyl)-1H-pyrrole, AldrichCPR, DB-040750, TC-069684, FT-0083376, FT-0605606, Y6963, K-0569, 2Y-0843, 302B227, A801665, AN-648/40859907, I11-733, W-204636, InChI=1/C10H8BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8, C10H8BrN, CID642818, ZINC00158962,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.085g/mol
Monoisotopic Mass	220.984g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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