Chemical ID: 7087510

c1cc(ccc1C(c2ccc(cc2)Cl)(c3ccc(cc3)Br)O)Cl
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

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