Chemical ID: 4727295

Cc1c(cnn1c2ccccc2)Br
Chemical ID:
4727295
Name [?]:
4-bromo-5-methyl-1-phenyl-pyrazole
SMILES [?]:
Cc1c(cnn1c2ccccc2)Br
InChi [?]:
InChI=1/C10H9BrN2/c1-8-10(11)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,4,2,7,3,13,5,6/E:(3,4)(5,6)/rA:13nCCCCNNCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9BrN2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.21368
Area:347.981
Solvation:-1.48585
Coulombic:-5.35193
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:237.096
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.12
LogP (Chemaxon):2.81

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Descriptor Annotations

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