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Chemical ID: 6299427
Chemical ID:
6299427
Name [?]:
2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
SMILES [?]:
c1cc(ccc1C2CC2C(=O)O)Cl
InChi [?]:
InChI=1/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,3,7,9,10,13,11,12/E:(1,2)(3,4)(12,13)/rA:13cCCCCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7s8;s9;d10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.93306 |
Area: | 351.719 |
Solvation: | -1.85991 |
Coulombic: | -27.3716 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 196.63 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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