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247904-21-8

247904-21-8 | Benzenemethanamine, N-(2-chloro-5-methoxyphenyl)-

CAS No: 247904-21-8 Catalog No: AG002PG8 MDL No:

Product Description

Catalog Number:
AG002PG8
Chemical Name:
Benzenemethanamine, N-(2-chloro-5-methoxyphenyl)-
CAS Number:
247904-21-8
Molecular Formula:
C14H14ClNO
Molecular Weight:
247.7201
IUPAC Name:
N-benzyl-2-chloro-5-methoxyaniline
InChI:
InChI=1S/C14H14ClNO/c1-17-12-7-8-13(15)14(9-12)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChI Key:
VUJFIBWLMCQXKH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NCc1ccccc1)Cl

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.076g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.722g/mol
Monoisotopic Mass:
247.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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