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1253907-90-2 | Benzenamine, 4-bromo-3-chloro-5-methyl-
CAS No: 1253907-90-2 Catalog No: AG000NLA MDL No:
Product Description
Catalog Number:
AG000NLA
Chemical Name:
Benzenamine, 4-bromo-3-chloro-5-methyl-
CAS Number:
1253907-90-2
Molecular Formula:
C7H7BrClN
Molecular Weight:
220.4942
IUPAC Name:
4-bromo-3-chloro-5-methylaniline
InChI:
InChI=1S/C7H7BrClN/c1-4-2-5(10)3-6(9)7(4)8/h2-3H,10H2,1H3
InChI Key:
RDCLNHDXIKGVHL-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c(c(c1)Cl)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.494g/mol
Monoisotopic Mass:
218.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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