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35219-13-7 | 4-(1,3,4-Oxadiazol-2-yl)aniline
CAS No: 35219-13-7 Catalog No: AG00380U MDL No:MFCD08059433
Product Description
Catalog Number:
AG00380U
Chemical Name:
4-(1,3,4-Oxadiazol-2-yl)aniline
CAS Number:
35219-13-7
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD08059433
IUPAC Name:
4-(1,3,4-oxadiazol-2-yl)aniline
InChI:
InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H,9H2
InChI Key:
WKERLKMCAVNWGD-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ocnn1
Properties
Complexity:
145
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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