Home Aminos 2-(aminomethyl)benzene-1,3-diol hydrobromide

2-(aminomethyl)benzene-1,3-diol hydrobromide

CAS No.:
643087-33-6
Catalog Number:
AG01EI5S
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
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Product Description
Catalog Number:
AG01EI5S
Chemical Name:
2-(aminomethyl)benzene-1,3-diol hydrobromide
CAS Number:
643087-33-6
Molecular Formula:
C7H10BrNO2
Molecular Weight:
220.0638
MDL Number:
MFCD31443741
IUPAC Name:
2-(aminomethyl)benzene-1,3-diol;hydrobromide
InChI:
InChI=1S/C7H9NO2.BrH/c8-4-5-6(9)2-1-3-7(5)10;/h1-3,9-10H,4,8H2;1H
InChI Key:
PEJZFDQOAZWLTQ-UHFFFAOYSA-N
SMILES:
NCc1c(O)cccc1O.Br
Properties
Complexity:
97.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.989g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
220.066g/mol
Monoisotopic Mass:
218.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties