Chemical ID: 6685794

c1cc(cc(c1)Br)CCO
Chemical ID:
6685794
Name [?]:
2-(3-bromophenyl)ethanol
SMILES [?]:
c1cc(cc(c1)Br)CCO
InChi [?]:
InChI=1/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,8,9,4,3,5,7,10/rA:10nCCCCCCBrCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9BrO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.32041
Area:318.804
Solvation:-1.64969
Coulombic:-18.4219
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.06
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):2.55

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Experimental Annotations

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Descriptor Annotations

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