Chemical ID: 4377669

C=CC(=O)Nc1ccc(cc1)Br
Chemical ID:
4377669
Name [?]:
N-(4-bromophenyl)prop-2-enamide
SMILES [?]:
C=CC(=O)Nc1ccc(cc1)Br
InChi [?]:
InChI=1/C9H8BrNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,10,7,11,9,6,3,12,5,4/E:(3,4)(5,6)/rA:12nCCCONCCCCCCBr/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.0295
Area:347.456
Solvation:-1.65689
Coulombic:-22.528
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.07
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):2.92

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Descriptor Annotations

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