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1349708-92-4 | 3-Amino-2,4-dibromo-6-methylbenzonitrile
CAS No: 1349708-92-4 Catalog No: AG01FBYO MDL No:MFCD20233328
Product Description
Catalog Number:
AG01FBYO
Chemical Name:
3-Amino-2,4-dibromo-6-methylbenzonitrile
CAS Number:
1349708-92-4
Molecular Formula:
C8H6Br2N2
Molecular Weight:
289.9546
MDL Number:
MFCD20233328
IUPAC Name:
3-amino-2,4-dibromo-6-methylbenzonitrile
InChI:
InChI=1S/C8H6Br2N2/c1-4-2-6(9)8(12)7(10)5(4)3-11/h2H,12H2,1H3
InChI Key:
XRVWFBJYGVYCNE-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(c(c1Br)N)Br
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.888g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.958g/mol
Monoisotopic Mass:
287.89g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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