Chemical ID: 4732153

c1cc(ccc1CCCC(=O)O)Br
Chemical ID:
4732153
Name [?]:
4-(4-bromophenyl)butanoic acid
SMILES [?]:
c1cc(ccc1CCCC(=O)O)Br
InChi [?]:
InChI=1/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:8,7,9,1,5,2,4,6,3,10,13,11,12/E:(4,5)(6,7)(12,13)/rA:13nCCCCCCCCCCOOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11BrO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.65627
Area:381.772
Solvation:-1.88804
Coulombic:-27.3095
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.097
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):3.26

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