Chemical ID: 6048750

CCOC(=O)c1ccc(c(c1)Cl)N
Chemical ID:
6048750
Name [?]:
ethyl 4-amino-3-chloro-benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)Cl)N
InChi [?]:
InChI=1/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,11,6,10,9,4,12,13,5,3/rA:13nCCOCOCCCCCCClN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10ClNO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.85123
Area:374.507
Solvation:-1.51145
Coulombic:-37.322
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.634
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):1.67

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Experimental Annotations

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Descriptor Annotations

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