1-Bromo-4-Propylbenzene

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Catalog Number
ACM588932
Product Name
1-Bromo-4-Propylbenzene
Structure
Structure
CAS
588-93-2
Category
Bromine Series
Synonyms
4-Propyl-1-bromobenzene
IUPAC Name
1-bromo-4-propylbenzene
Molecular Weight
199.09
Molecular Formula
C9H11Br
Canonical SMILES
CCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChI Key
NUPWGLKBGVNSJX-UHFFFAOYSA-N
Boiling Point
225 °C
Melting Point
-41.4 °C
Density
1.286 g/ml
Appearance
Clear colorless to slightly yellow liquid
Complexity
82.7
Covalently-Bonded Unit Count
1
EC Number
454-790-0
Exact Mass
198.00441g/mol
Formal Charge
0
Hazard Statements
H314
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
10
Monoisotopic Mass
198.00441g/mol
NSC Number
97222
RIDADR
NONH for all modes of transport
Rotatable Bond Count
2
Symbol
GHS05
XLogP3
4.2
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