Chemical ID: 5383013

CNC(=O)COC(=O)c1ccccc1Br
Chemical ID:
5383013
Name [?]:
methylcarbamoylmethyl 2-bromobenzoate
SMILES [?]:
CNC(=O)COC(=O)c1ccccc1Br
InChi [?]:
InChI=1/C10H10BrNO3/c1-12-9(13)6-15-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,5,9,14,3,7,15,2,4,8,6/rA:15nCNCOCOCOCCCCCCBr/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrNO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.17318
Area:402.974
Solvation:-2.90117
Coulombic:-41.2123
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.095
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.93
LogP (Chemaxon):1.31

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