AG003B19

76287-49-5 | 1-Bromo-4-heptylbenzene

AG003B19

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CAS Number	76287-49-5
Catalog Number	AG003B19(AGN-PC-0KKWML)
Chemical Name	1-Bromo-4-heptylbenzene
IUPAC Name	1-bromo-4-heptylbenzene
InChI	InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3
InChI Key	YHKMTIJHJWYYAG-UHFFFAOYSA-N
MDL Number	MFCD00061115
Molecular Formula	C13H19Br
Molecular Weight	255.1940
SMILES	CCCCCCCC1=CC=C(Br)C=C1
Synonyms	1-Bromo-4-heptylbenzene, 76287-49-5, 1-Bromo-4-n-heptylbenzene, 1-(4-bromophenyl)heptane, 4-Heptylbromobenzene, Benzene, 1-bromo-4-heptyl-, MFCD00061115, J-504451, 4-n-Heptylbromobenzene, AC1MCPZB, 4-bromo-1-heptylbenzene, 1-bromo-4-heptyl-benzene, ACMC-209p2u, 1-bromanyl-4-heptyl-benzene, KSC912E9B, SCHEMBL4191545, CTK8B2290, DTXSID90379378, YHKMTIJHJWYYAG-UHFFFAOYSA-N, ZINC2169754, ZX-AT023456, ANW-36772, AKOS015835694, AS-9558, MCULE-8287188959, RP29097, KS-0000118Q, AK-81764, AN-36959, AX8057493, DB-030726, TR-024448, FT-0605666, ST50826898, V7662, B-5033, 287B495, A838665, C-47000, I01-6863, C13H19Br, CID2775100, R501, B1608, 1-Bromo-4-heptylbenzene, 97%, stabilized with copper chip - 1G 1g,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.067g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.199g/mol
Monoisotopic Mass	254.067g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number