Chemical ID: 5758586

Cc1cc(cc2c1[nH]nc2)Br
Chemical ID:
5758586
Name [?]:
5-bromo-7-methyl-1H-indazole
SMILES [?]:
Cc1cc(cc2c1[nH]nc2)Br
InChi [?]:
InChI=1/C8H7BrN2/c1-5-2-7(9)3-6-4-10-11-8(5)6/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,5,10,2,6,4,7,11,9,8/rA:11nCCCCCCCNNCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7BrN2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.30484
Area:310.147
Solvation:-1.44882
Coulombic:-9.60945
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.059
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.17
LogP (Chemaxon):3.03

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Experimental Annotations

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Descriptor Annotations

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