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1-Bromo-3-phenylpropane

CAT: 0572-TRC-B687060-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687060-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
637-59-2
Synonyms
(3-Bromopropyl)benzene; (gamma-Bromopropyl)benzene; 1-Bromo-3-phenylpropane; 1-Phenyl-3-bromopropane; 3-Bromo-1-phenylpropane; 3-Phenyl-1-bromopropane; 3-Phenylpropyl Bromide; NSC 133438
Hazard Statement
Causes skin irritation
Smiles
BrCCCc1ccccc1
Molecular Formula
C9H11Br
Molecular Weight
199.09
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

(3-Bromopropyl)benzene
CAS Number637-59-2
PubChem CID12503
IUPAC Name3-bromopropylbenzene
Molecular FormulaC9H11Br
Molecular Weight199.09
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity74
SMILES
C1=CC=C(C=C1)CCCBr
InChI
InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
XMZQWZJMTBCUFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Bromopropyl)benzene
CAS: 637-59-2
CID: 12503
Formula: C9H11Br
MW: 199.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.09
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass198.00441
Monoisotopic Mass198.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity74.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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