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1002761-99-0 | Benzonitrile, 3-amino-4-bromo-5-methyl-
CAS No: 1002761-99-0 Catalog No: AG0001FY MDL No:
Product Description
Catalog Number:
AG0001FY
Chemical Name:
Benzonitrile, 3-amino-4-bromo-5-methyl-
CAS Number:
1002761-99-0
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
IUPAC Name:
3-amino-4-bromo-5-methylbenzonitrile
InChI:
InChI=1S/C8H7BrN2/c1-5-2-6(4-10)3-7(11)8(5)9/h2-3H,11H2,1H3
InChI Key:
HXHUNOWRVCNLIF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)N)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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