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Chemical ID: 6156258
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
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Experimental Annotations
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Descriptor Annotations
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