Chemical ID: 7245497

Cc1cc(n(n1)c2ccc(cc2)CCl)C
Chemical ID:
7245497
Name [?]:
1-[4-(chloromethyl)phenyl]-3,5-dimethyl-pyrazole
SMILES [?]:
Cc1cc(n(n1)c2ccc(cc2)CCl)C
InChi [?]:
InChI=1/C12H13ClN2/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,9,11,8,12,3,13,2,4,10,7,14,6,5/E:(3,4)(5,6)/rA:15nCCCCNNCCCCCCCClC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s10;s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClN2
All Atoms:28
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.0191
Area:404.814
Solvation:-2.10124
Coulombic:-4.80224
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.698
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.01
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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