Chemical ID: 6623229

c1cc(cc(c1)Cl)C(=Cc2ccc(cc2)Br)C#N
Chemical ID:
6623229
Name [?]:
3-(4-bromophenyl)-2-(3-chlorophenyl)-prop-2-enenitrile
SMILES [?]:
c1cc(cc(c1)Cl)C(=Cc2ccc(cc2)Br)C#N
InChi [?]:
InChI=1/C15H9BrClN/c16-14-6-4-11(5-7-14)8-13(10-18)12-2-1-3-15(17)9-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,15,12,14,9,4,17,10,3,8,13,5,16,7,18/E:(4,5)(6,7)/rA:18nCCCCCCClCCCCCCCCBrCN/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;d10s14;s13;s8;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrClN
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0674
Area:454.369
Solvation:-1.29181
Coulombic:-7.30002
Bond Count [?]
All:19
Single:11
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:318.595
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.3
LogP (Chemaxon):5.3

Name Annotations

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Descriptor Annotations

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