Chemical ID: 4724733

c1cc2c(cc1Br)cc(c(=O)o2)P(=O)(O)O
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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Descriptor Annotations

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