Chemical ID: 5833603

c1ccc(c(c1)C(CCBr)O)[N+](=O)[O-]
Chemical ID:
5833603
Name [?]:
3-bromo-1-(2-nitrophenyl)-propan-1-ol
SMILES [?]:
c1ccc(c(c1)C(CCBr)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H10BrNO3/c10-6-5-9(12)7-3-1-2-4-8(7)11(13)14/h1-4,9,12H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,5,4,7,10,12,11,13,14/E:(13,14)/CRV:11.5/rA:14cCCCCCCCCCBrON+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7;s4;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10BrNO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:3.16802
Area:373.177
Solvation:-6.16139
Coulombic:-31.182
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.085
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.54
LogP (Chemaxon):2.35

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Descriptor Annotations

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