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Home Halogens [4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methanamine

[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methanamine

CAS No.:
1152568-61-0
Catalog Number:
AG019X55
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG019X55
Chemical Name:
[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methanamine
CAS Number:
1152568-61-0
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD10694140
IUPAC Name:
[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methanamine
InChI:
InChI=1S/C13H18ClNO2/c1-16-12-3-2-10(14)8-11(12)13(9-15)4-6-17-7-5-13/h2-3,8H,4-7,9,15H2,1H3
InChI Key:
OLJDCJGFKCTMFQ-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)c1cc(Cl)ccc1OC
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties