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89036-64-6 | 2-Propanol, 1-(phenylamino)-, hydrobromide
CAS No: 89036-64-6 Catalog No: AG0043CK MDL No:
Product Description
Catalog Number:
AG0043CK
Chemical Name:
2-Propanol, 1-(phenylamino)-, hydrobromide
CAS Number:
89036-64-6
Molecular Formula:
C9H14BrNO
Molecular Weight:
232.1176
IUPAC Name:
1-anilinopropan-2-ol;hydrobromide
InChI:
InChI=1S/C9H13NO.BrH/c1-8(11)7-10-9-5-3-2-4-6-9;/h2-6,8,10-11H,7H2,1H3;1H
InChI Key:
GXOGTXFPAMQBAQ-UHFFFAOYSA-N
SMILES:
CC(CNc1ccccc1)O.Br
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.121g/mol
Monoisotopic Mass:
231.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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