Chemical ID: 3999659

COC(=O)c1ccc(c(c1)N)Cl
Chemical ID:
3999659
Name [?]:
methyl 3-amino-4-chloro-benzoate
SMILES [?]:
COC(=O)c1ccc(c(c1)N)Cl
InChi [?]:
InChI=1/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,10,5,8,9,3,12,11,4,2/rA:12nCOCOCCCCCCNCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.07378
Area:346.983
Solvation:-1.6008
Coulombic:-37.0904
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.607
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.76
LogP (Chemaxon):1.33

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Descriptor Annotations

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