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1016500-71-2 | Phenol, 4-chloro-2-[(ethylamino)methyl]-
CAS No: 1016500-71-2 Catalog No: AG00051X MDL No:MFCD09932367
Product Description
Catalog Number:
AG00051X
Chemical Name:
Phenol, 4-chloro-2-[(ethylamino)methyl]-
CAS Number:
1016500-71-2
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD09932367
IUPAC Name:
4-chloro-2-(ethylaminomethyl)phenol
InChI:
InChI=1S/C9H12ClNO/c1-2-11-6-7-5-8(10)3-4-9(7)12/h3-5,11-12H,2,6H2,1H3
InChI Key:
IGZGODFWUJDHQK-UHFFFAOYSA-N
SMILES:
CCNCc1cc(Cl)ccc1O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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