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1417371-78-8

1417371-78-8 | Benzonitrile, 3,4-diamino-5-bromo-

CAS No: 1417371-78-8 Catalog No: AG001GY7 MDL No:MFCD22628913

Product Description

Catalog Number:
AG001GY7
Chemical Name:
Benzonitrile, 3,4-diamino-5-bromo-
CAS Number:
1417371-78-8
Molecular Formula:
C7H6BrN3
Molecular Weight:
212.0466
MDL Number:
MFCD22628913
IUPAC Name:
3,4-diamino-5-bromobenzonitrile
InChI:
InChI=1S/C7H6BrN3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2H,10-11H2
InChI Key:
LIULHHPOZZYTJR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)c(c(c1)Br)N

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.975g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.05g/mol
Monoisotopic Mass:
210.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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