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1000342-36-8 | Benzonitrile, 3-amino-5-bromo-2-methyl-
CAS No: 1000342-36-8 Catalog No: AG0000II MDL No:MFCD09749944
Product Description
Catalog Number:
AG0000II
Chemical Name:
Benzonitrile, 3-amino-5-bromo-2-methyl-
CAS Number:
1000342-36-8
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD09749944
IUPAC Name:
3-amino-5-bromo-2-methylbenzonitrile
InChI:
InChI=1S/C8H7BrN2/c1-5-6(4-10)2-7(9)3-8(5)11/h2-3H,11H2,1H3
InChI Key:
ZZNAEJYUARNYAX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1C)N
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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