Home Aminos Benzenepropanol, b-amino-4-iodo-

Benzenepropanol, b-amino-4-iodo-

CAS No.:
188586-66-5
Catalog Number:
AG00I2R3
Molecular Formula:
C9H12INO
Molecular Weight:
277.1022
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Product Description
Catalog Number:
AG00I2R3
Chemical Name:
Benzenepropanol, b-amino-4-iodo-
CAS Number:
188586-66-5
Molecular Formula:
C9H12INO
Molecular Weight:
277.1022
MDL Number:
MFCD21243886
IUPAC Name:
2-amino-3-(4-iodophenyl)propan-1-ol
InChI:
InChI=1S/C9H12INO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
InChI Key:
MPCOBLKNQSOAGC-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccc(cc1)I)N
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.996g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.105g/mol
Monoisotopic Mass:
276.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties