AG003DX6

42918-20-7 | 1-Allyl-2-bromobenzene

AG003DX6

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CAS Number	42918-20-7
Catalog Number	AG003DX6(AGN-PC-0WAL1L)
Chemical Name	1-Allyl-2-bromobenzene
IUPAC Name	1-bromo-2-prop-2-enylbenzene
InChI	InChI=1S/C9H9Br/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5H2
InChI Key	NTYPQDZCDDLKLV-UHFFFAOYSA-N
MDL Number	MFCD01319538
Molecular Formula	C9H9Br
Molecular Weight	197.0718
SMILES	C(C=C)C1=C(C=CC=C1)Br
Synonyms	1-Allyl-2-bromobenzene, 42918-20-7, 2-Allylphenyl bromide, allyl bromobenzene, o-Allylbromobenzene, 2-Allylbromobenzene, ACMC-20aoyl, 2-Bromo-1-allylbenzene, 1-Allyl-2-bromobenzene #, AC1LB47B, 1-bromo-2-prop-2-enylbenzene, SCHEMBL2475077, 1-Allyl-2-bromobenzene, 97%, CTK5J4022, DTXSID90341833, NTYPQDZCDDLKLV-UHFFFAOYSA-N, ZINC2245275, MFCD01319538, Benzene, 1-bromo-2-(2-propenyl)-, AKOS025295320, AS-44196, TC-172020, FT-0746232, 1-bromo-2-(prop-2-enyl)benzene, CID576065,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.989g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.075g/mol
Monoisotopic Mass	195.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number