Chemical ID: 6156258

CCOC(=O)c1ccc(cc1)CBr
Chemical ID:
6156258
Name [?]:
ethyl 4-(bromomethyl)benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)CBr
InChi [?]:
InChI=1/C10H11BrO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,10,7,11,12,9,6,4,13,5,3/E:(3,4)(5,6)/rA:13nCCOCOCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11BrO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.96032
Area:380.391
Solvation:-1.54947
Coulombic:-21.522
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.097
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):2.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue