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13194-70-2 | Benzenamine, 4-bromo-2-methyl-, hydrochloride (1:1)
CAS No: 13194-70-2 Catalog No: AG000ZYE MDL No:
Product Description
Catalog Number:
AG000ZYE
Chemical Name:
Benzenamine, 4-bromo-2-methyl-, hydrochloride (1:1)
CAS Number:
13194-70-2
Molecular Formula:
C7H9BrClN
Molecular Weight:
222.5101
IUPAC Name:
4-bromo-2-methylaniline;hydrochloride
InChI:
InChI=1S/C7H8BrN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
InChI Key:
UDRDAMWXUPMNJW-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)N.Cl
EC Number:
603-536-9
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.51g/mol
Monoisotopic Mass:
220.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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