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114060-04-7 | 2-Amino-5-methoxybenzyl chloride
CAS No: 114060-04-7 Catalog No: AG01FEJO MDL No:
Product Description
Catalog Number:
AG01FEJO
Chemical Name:
2-Amino-5-methoxybenzyl chloride
CAS Number:
114060-04-7
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
IUPAC Name:
2-(chloromethyl)-4-methoxyaniline
InChI:
InChI=1S/C8H10ClNO/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5,10H2,1H3
InChI Key:
AWUQKTSPRJBWCX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CCl)N
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:
1.3
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