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1- (3-bromophenyl) cycloheptanol

CAT: 0127-OR1085078-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1085078-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1615678-72-2
MDL Number
MFCD34825919
Purity
95%
Smiles
C1ccc (cc1Br) C1 (CCCCCC1) O

Chemical Information

1-(3-Bromophenyl)cycloheptanol
CAS Number1615678-72-2
PubChem CID90240322
IUPAC Name1-(3-bromophenyl)cycloheptan-1-ol
Molecular FormulaC13H17BrO
Molecular Weight269.18
XLogP3.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity197
SMILES
C1CCCC(CC1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C13H17BrO/c14-12-7-5-6-11(10-12)13(15)8-3-1-2-4-9-13/h5-7,10,15H,1-4,8-9H2
InChIKey
CKFDTGMSNICJPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromophenyl)cycloheptanol
CAS: 1615678-72-2
CID: 90240322
Formula: C13H17BrO
MW: 269.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.18
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass268.04628
Monoisotopic Mass268.04628
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity197
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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