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1228571-53-6 | Phenol, 2-[(1R)-1-aminoethyl]-4-chloro-
CAS No: 1228571-53-6 Catalog No: AG000JM5 MDL No:MFCD06762061
Product Description
Catalog Number:
AG000JM5
Chemical Name:
Phenol, 2-[(1R)-1-aminoethyl]-4-chloro-
CAS Number:
1228571-53-6
Molecular Formula:
C8H10ClNO
Molecular Weight:
171.6241
MDL Number:
MFCD06762061
IUPAC Name:
2-[(1R)-1-aminoethyl]-4-chlorophenol
InChI:
InChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m1/s1
InChI Key:
IHDFZQZUBQSKDM-RXMQYKEDSA-N
SMILES:
Clc1ccc(c(c1)[C@H](N)C)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
171.624g/mol
Monoisotopic Mass:
171.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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