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88817-30-5 | 1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-
CAS No: 88817-30-5 Catalog No: AG004C4L MDL No:
Product Description
Catalog Number:
AG004C4L
Chemical Name:
1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-
CAS Number:
88817-30-5
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
IUPAC Name:
2-amino-5-bromo-4-methylbenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C9H6BrN3/c1-5-7(4-12)9(13)6(3-11)2-8(5)10/h2H,13H2,1H3
InChI Key:
QCWHSGKXZCDNFS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(c(c1N)C#N)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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