AG0002U6

100779-91-7 | 1H-Pyrrole, 1-(3-bromopropyl)-

AG0002U6

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CAS Number	100779-91-7
Catalog Number	AG0002U6(AGN-PC-0JSUGG)
Chemical Name	1H-Pyrrole, 1-(3-bromopropyl)-
IUPAC Name	1-(3-bromopropyl)pyrrole
InChI	InChI=1S/C7H10BrN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChI Key	IXIXPLRTYIMRMC-UHFFFAOYSA-N
MDL Number	MFCD00191324
Molecular Formula	C7H10BrN
Molecular Weight	188.0650
SMILES	BrCCCN1C=CC=C1
Synonyms	1-(3-Bromopropyl)pyrrole, 100779-91-7, 1-(3-Bromopropyl)-1H-pyrrole, 1H-Pyrrole, 1-(3-bromopropyl)-, IXIXPLRTYIMRMC-UHFFFAOYSA-N, AC1LBFMH, n-(3-bromopropyl)pyrrole, AC1Q27WX, AC1Q27WY, 1-(3-bromopropyl)-pyrrole, ACMC-1C78G, SCHEMBL311699, CTK3J9246, DTXSID00339589, 1-(3-bromo-propyl)-1H-pyrrole, 1H-Pyrrole,1-(3-bromopropyl)-, 1-(3-Bromopropyl)-1H-pyrrole #, KS-000014XX, ZINC2556776, (1H)Pyrrole, 1-(3-bromopropyl)-, 0267AA, ANW-14367, FCH919187, MFCD00191324, AKOS006230043, CB-2133, MB00854, QC-3366, AJ-39978, BC653419, CC-02051, 1-(3-Bromopropyl)-1H-pyrrole, AldrichCPR, AX8010042, TR-032671, FT-0642432, C-07735, I14-62176, C7H10BrN, KST-1A9531, AR-1B1353, CID557119, B1623, 10091-01-7,

Complexity	69.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.068g/mol
Monoisotopic Mass	187g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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