Home Halogens 1-benzyl-5-bromo-1H-1,3-benzodiazol-2-amine

1-benzyl-5-bromo-1H-1,3-benzodiazol-2-amine

CAS No.:
1146293-02-8
Catalog Number:
AG019SY3
Molecular Formula:
C14H12BrN3
Molecular Weight:
302.1692
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Product Description
Catalog Number:
AG019SY3
Chemical Name:
1-benzyl-5-bromo-1H-1,3-benzodiazol-2-amine
CAS Number:
1146293-02-8
Molecular Formula:
C14H12BrN3
Molecular Weight:
302.1692
MDL Number:
MFCD11868732
IUPAC Name:
1-benzyl-5-bromobenzimidazol-2-amine
InChI:
InChI=1S/C14H12BrN3/c15-11-6-7-13-12(8-11)17-14(16)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17)
InChI Key:
JXOOCLNUQMGBQZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(n2Cc1ccccc1)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.021g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.175g/mol
Monoisotopic Mass:
301.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties