Chemical ID: 7967989

c1cc2c(c(c1)Cl)c(c[nH]2)C=O
Chemical ID:
7967989
Name [?]:
4-chloro-1H-indole-3-carbaldehyde
SMILES [?]:
c1cc2c(c(c1)Cl)c(c[nH]2)C=O
InChi [?]:
InChI=1/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChi Info:
AuxInfo=1/0/N:1,6,2,9,11,8,5,3,4,7,10,12/rA:12nCCCCCCClCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s8;d11;/rC:-.0167,1.3825,.0096;1.1592,2.1011,.0023;2.3806,1.4352,-.0129;2.3981,.0319,-.0206;1.203,-.6828,-.013;.0021,-.0041,.002;1.2243,-2.4186,-.0219;3.8231,-.3534,-.0362;4.5394,.8244,-.0367;3.6905,1.87,-.0231;4.349,-1.6694,-.0478;5.5505,-1.8429,-.0603;

Chemical Details

Atom Count
Formula:C15H12O3
All Atoms:18
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.28879
Area:324.736
Solvation:-1.82961
Coulombic:-18.9511
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.603
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.41
LogP (Chemaxon):2.64

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