AG00CITK

39220-69-4 | 1-bromo-4-(1-methylpropyl)benzene

AG00CITK

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CAS Number	39220-69-4
Catalog Number	AG00CITK(AGN-PC-00PGYV)
Chemical Name	1-bromo-4-(1-methylpropyl)benzene
IUPAC Name	1-bromo-4-butan-2-ylbenzene
InChI	InChI=1S/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3
InChI Key	DGZQEAKNZXNTNL-UHFFFAOYSA-N
MDL Number	MFCD11127738
Molecular Formula	C10H13Br
Molecular Weight	213.1142
SMILES	CCC(C1=CC=C(Br)C=C1)C
Synonyms	1-Bromo-4-(sec-butyl)benzene, 39220-69-4, 1-Bromo-4-(1-methylpropyl)benzene, 4-Bromo Sec-butyl benzene, 1-bromo-4-butan-2-ylbenzene, 88497-56-7, Benzene, 1-bromo-4-(1-methylpropyl)-, EINECS 254-362-1, AC1MI2B7, SCHEMBL2600188, CTK4I1125, 1-bromo-4-(butan-2-yl)benzene, MFCD11127738, AKOS000202547, AKOS022188290, Benzene,1-bromo-4-(1-methylpropyl)-, DS-8899, AK148385, SC-67422, FT-0654985, I01-2068, Brominated polystyrene, C10-H13-Br, Benzene, ethenyl-, homopolymer, brominated, CID3016060,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.118g/mol
Monoisotopic Mass	212.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number