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1004997-73-2 | Benzenemethanamine, 2-amino-5-bromo-, hydrochloride (1:2)
CAS No: 1004997-73-2 Catalog No: AG00024M MDL No:
Product Description
Catalog Number:
AG00024M
Chemical Name:
Benzenemethanamine, 2-amino-5-bromo-, hydrochloride (1:2)
CAS Number:
1004997-73-2
Molecular Formula:
C7H11BrCl2N2
Molecular Weight:
273.9856
IUPAC Name:
2-(aminomethyl)-4-bromoaniline;dihydrochloride
InChI:
InChI=1S/C7H9BrN2.2ClH/c8-6-1-2-7(10)5(3-6)4-9;;/h1-3H,4,9-10H2;2*1H
InChI Key:
MVVCFHINSNWABH-UHFFFAOYSA-N
SMILES:
NCc1cc(Br)ccc1N.Cl.Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.948g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.983g/mol
Monoisotopic Mass:
271.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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