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802565-41-9 | 1-AMINO-2-(4-CHLORO-PHENYL)-PROPAN-2-OL
CAS No: 802565-41-9 Catalog No: AG005C9F MDL No:MFCD09260400
Product Description
Catalog Number:
AG005C9F
Chemical Name:
1-AMINO-2-(4-CHLORO-PHENYL)-PROPAN-2-OL
CAS Number:
802565-41-9
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD09260400
IUPAC Name:
1-amino-2-(4-chlorophenyl)propan-2-ol
InChI:
InChI=1S/C9H12ClNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3
InChI Key:
HQYNVCFWWOMLMF-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Cl)(O)C
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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