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Chemical ID: 4724733
Chemical ID:
4724733
Name [?]:
(6-bromo-2-oxo-chromen-3-yl)phosphonic acid
SMILES [?]:
c1cc2c(cc1Br)cc(c(=O)o2)P(=O)(O)O
InChi [?]:
InChI=1/C9H6BrO5P/c10-6-1-2-7-5(3-6)4-8(9(11)15-7)16(12,13)14/h1-4H,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,4,6,3,9,10,7,11,14,15,16,12,13/E:(12,13,14)/rA:16nCCCCCCBrCCCOOPOOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;d10;s3s10;s9;d13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6BrO5P |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91168 |
Area: | 397.969 |
Solvation: | -4.03754 |
Coulombic: | -59.0978 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 305.019 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.67 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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