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115514-77-7 | Benzenemethanamine, 3-chloro-4-methoxy-
CAS No: 115514-77-7 Catalog No: AG000G3W MDL No:MFCD00995395
Product Description
Catalog Number:
AG000G3W
Chemical Name:
Benzenemethanamine, 3-chloro-4-methoxy-
CAS Number:
115514-77-7
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD00995395
IUPAC Name:
(3-chloro-4-methoxyphenyl)methanamine
InChI:
InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChI Key:
OCNMSDZALRAYEX-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)Cl)OC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.624g/mol
Monoisotopic Mass:
171.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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