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74615-31-9 | Benzamide,4-(cyanoamino)-
CAS No: 74615-31-9 Catalog No: AG005AM3 MDL No:
Product Description
Catalog Number:
AG005AM3
Chemical Name:
Benzamide,4-(cyanoamino)-
CAS Number:
74615-31-9
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
4-(cyanoamino)benzamide
InChI:
InChI=1S/C8H7N3O/c9-5-11-7-3-1-6(2-4-7)8(10)12/h1-4,11H,(H2,10,12)
InChI Key:
VLKRVGQWKJXFJI-UHFFFAOYSA-N
SMILES:
N#CNc1ccc(cc1)C(=O)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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