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99799-46-9 | 2-Bromo-4-cyano-6-methylaniline
CAS No: 99799-46-9 Catalog No: AG01F09C MDL No:MFCD09800839
Product Description
Catalog Number:
AG01F09C
Chemical Name:
2-Bromo-4-cyano-6-methylaniline
CAS Number:
99799-46-9
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD09800839
IUPAC Name:
4-amino-3-bromo-5-methylbenzonitrile
InChI:
InChI=1S/C8H7BrN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3
InChI Key:
XSTLURJCYVPCNE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)Br)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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