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16429-44-0 | 1,2-Benzenediamine, 5-bromo-3-chloro-
CAS No: 16429-44-0 Catalog No: AG001URK MDL No:MFCD12028675
Product Description
Catalog Number:
AG001URK
Chemical Name:
1,2-Benzenediamine, 5-bromo-3-chloro-
CAS Number:
16429-44-0
Molecular Formula:
C6H6BrClN2
Molecular Weight:
221.4822
MDL Number:
MFCD12028675
IUPAC Name:
5-bromo-3-chlorobenzene-1,2-diamine
InChI:
InChI=1S/C6H6BrClN2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2
InChI Key:
VLJIODKDXFJLRA-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c(c(c1)Cl)N
NSC Number:
522091
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.482g/mol
Monoisotopic Mass:
219.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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