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1199773-47-1 | Benzenamine, 2-bromo-4-chloro-N-methyl-, hydrochloride (1:1)
CAS No: 1199773-47-1 Catalog No: AG000PY9 MDL No:MFCD13195691
Product Description
Catalog Number:
AG000PY9
Chemical Name:
Benzenamine, 2-bromo-4-chloro-N-methyl-, hydrochloride (1:1)
CAS Number:
1199773-47-1
Molecular Formula:
C7H8BrCl2N
Molecular Weight:
256.9551
MDL Number:
MFCD13195691
IUPAC Name:
2-bromo-4-chloro-N-methylaniline;hydrochloride
InChI:
InChI=1S/C7H7BrClN.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4,10H,1H3;1H
InChI Key:
MTOMIVPYZKFEBW-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1Br)Cl.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.922g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.952g/mol
Monoisotopic Mass:
254.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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