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Chemical ID: 4434534
Chemical ID:
4434534
Name [?]:
[4-[(4-bromophenyl)methoxy]-3-chloro-phenyl]methanol
SMILES [?]:
c1cc(ccc1COc2ccc(cc2Cl)CO)Br
InChi [?]:
InChI=1/C14H12BrClO2/c15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16/h1-7,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,5,11,2,4,10,13,16,7,6,12,3,14,9,18,15,17,8/E:(1,2)(4,5)/rA:18nCCCCCCCOCCCCCCClCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrClO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20685 |
Area: | 474.588 |
Solvation: | -3.65786 |
Coulombic: | -26.6262 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.601 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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