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130643-28-6 | 1H-Pyrimido[5,4-c]azepine(9CI)
CAS No: 130643-28-6 Catalog No: AG000UQI MDL No:
Product Description
Catalog Number:
AG000UQI
Chemical Name:
1H-Pyrimido[5,4-c]azepine(9CI)
CAS Number:
130643-28-6
Molecular Formula:
C8H7N3
Molecular Weight:
145.1613
IUPAC Name:
6H-pyrimido[5,4-c]azepine
InChI:
InChI=1S/C8H7N3/c1-2-8-7(4-9-3-1)5-10-6-11-8/h1-6,9H
InChI Key:
WJOUHRVVWOCGCT-UHFFFAOYSA-N
SMILES:
C1=CC=c2c(C=N1)cnc[nH]2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.165g/mol
Monoisotopic Mass:
145.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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