Chemical ID: 4688049

c1cc(cc(c1)Cl)CO[NH3+]
Chemical ID:
4688049
Name [?]:
(3-chlorophenyl)methoxyammonium
SMILES [?]:
c1cc(cc(c1)Cl)CO[NH3+]
InChi [?]:
InChI=1/C7H9ClNO/c8-7-3-1-2-6(4-7)5-10-9/h1-4H,5H2,9H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,4,8,3,5,7,10,9/CRV:9+1/rA:10nCCCCCCClCON+/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9ClNO+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-37.7224
Area:322.222
Solvation:-45.778
Coulombic:37.0434
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:158.605
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.32
LogP (Chemaxon):2.15

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Experimental Annotations

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Descriptor Annotations

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