Chemical ID: 3991390

c1cc(cc(c1)NC(=O)CCl)C(=O)O
Chemical ID:
3991390
Name [?]:
3-(2-chloroacetyl)aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)NC(=O)CCl)C(=O)O
InChi [?]:
InChI=1/C9H8ClNO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,3,5,8,12,11,7,9,13,14/E:(13,14)/rA:14nCCCCCCNCOCClCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClNO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.10988
Area:381.55
Solvation:-3.42887
Coulombic:-46.9705
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.617
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.13
LogP (Chemaxon):1.48

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