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Chemical ID: 4980713
Chemical ID:
4980713
Name [?]:
5-(2,5-dibromophenyl)-2H-pyrazol-3-amine
SMILES [?]:
c1cc(c(cc1Br)c2cc([nH]n2)N)Br
InChi [?]:
InChI=1/C9H7Br2N3/c10-5-1-2-7(11)6(3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,6,4,3,8,10,7,14,13,12,11/rA:14nCCCCCCBrCCCNNNBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s10;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7Br2N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59842 |
Area: | 376.079 |
Solvation: | -1.80355 |
Coulombic: | -26.4391 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 316.98 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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