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Chemical ID: 7087510
Chemical ID:
7087510
Name [?]:
(4-bromophenyl)-bis(4-chlorophenyl)-methanol
SMILES [?]:
c1cc(ccc1C(c2ccc(cc2)Cl)(c3ccc(cc3)Br)O)Cl
InChi [?]:
InChI=1/C19H13BrCl2O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChi Info:
AuxInfo=1/0/N:16,20,1,5,9,13,17,19,2,4,10,12,15,6,8,18,3,11,7,21,23,14,22/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(14,15)(17,18)(21,22)/rA:23nCCCCCCCCCCCCCClCCCCCCBrOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s7;s15;d16;s17;d18;d15s19;s18;s7;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13BrCl2O |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8301 |
Area: | 543.863 |
Solvation: | -1.76648 |
Coulombic: | -23.7561 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.115 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.8 |
LogP (Chemaxon): | 6.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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