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177538-70-4 | 2H-1,4-Benzoxazin-5-amine
CAS No: 177538-70-4 Catalog No: AG0025D3 MDL No:
Product Description
Catalog Number:
AG0025D3
Chemical Name:
2H-1,4-Benzoxazin-5-amine
CAS Number:
177538-70-4
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
IUPAC Name:
2H-1,4-benzoxazin-5-amine
InChI:
InChI=1S/C8H8N2O/c9-6-2-1-3-7-8(6)10-4-5-11-7/h1-4H,5,9H2
InChI Key:
WYXZFYVGOMVKEG-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1N=CCO2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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