Chemical ID: 4282437

c1ccc2c(c1)c(=O)oc(n2)c3ccccc3Br
Chemical ID:
4282437
Name [?]:
3-(2-bromophenyl)-4-oxa-2-azabicyclo[4.4.0]deca-2,7,9,11-tetraen-5-one
SMILES [?]:
c1ccc2c(c1)c(=O)oc(n2)c3ccccc3Br
InChi [?]:
InChI=1/C14H8BrNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
InChi Info:
AuxInfo=1/0/N:14,1,15,2,13,6,16,3,12,5,17,4,10,7,18,11,8,9/rA:18nCCCCCCCOOCNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8BrNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.5755
Area:409.231
Solvation:-1.65526
Coulombic:-27.8382
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:302.123
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.98
LogP (Chemaxon):3.9

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