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Oprea1_202899,Oprea1_849988,3-Chloro-4-methoxy-benzylamine,BAS 0023287

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摘 要:Oprea1_202899,Oprea1_849988,3-Chloro-4-methoxy-benzylamine,BAS 00232871, (3-chloro-4-methoxyphenyl)methanamine,Canonical SMILES: COC1=C(C=C(C=C1)CN)Cl,InChI: InChI=1/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3,Molecular Weight171.6241 [g/mo
[Synonyms]
Oprea1_202899
Oprea1_849988
3-Chloro-4-methoxy-benzylamine
BAS 00232871

[Structure]
Oprea1_202899,Oprea1_849988,3-Chloro-4-methoxy-benzylamine,BAS 0023287

[ Properties Computed from Structure]
Molecular Weight171.6241 [g/mol]
Molecular FormulaC8H10ClNO
XLogP1.7
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass171.045092
MonoIsotopic Mass171.045092
Topological Polar Surface Area35.3
Heavy Atom Count11
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (3-chloro-4-methoxyphenyl)methanamine
Canonical SMILES: COC1=C(C=C(C=C1)CN)Cl
InChI: InChI=1/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3

 
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