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102236-50-0 | Benzenamine, 2-bromo-3,4,6-trimethyl-
CAS No: 102236-50-0 Catalog No: AG000705 MDL No:
Product Description
Catalog Number:
AG000705
Chemical Name:
Benzenamine, 2-bromo-3,4,6-trimethyl-
CAS Number:
102236-50-0
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
IUPAC Name:
2-bromo-3,4,6-trimethylaniline
InChI:
InChI=1S/C9H12BrN/c1-5-4-6(2)9(11)8(10)7(5)3/h4H,11H2,1-3H3
InChI Key:
UMIDFBDPMOPWDY-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc(c(c1Br)N)C
NSC Number:
154609
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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