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70623-80-2 | 1H-PYRIMIDO[5,4-E][1,4]DIAZEPINE
CAS No: 70623-80-2 Catalog No: AG005HQ2 MDL No:
Product Description
Catalog Number:
AG005HQ2
Chemical Name:
1H-PYRIMIDO[5,4-E][1,4]DIAZEPINE
CAS Number:
70623-80-2
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
IUPAC Name:
5H-pyrimido[5,4-e][1,4]diazepine
InChI:
InChI=1S/C7H6N4/c1-2-10-6-4-9-5-11-7(6)3-8-1/h1-5,10H
InChI Key:
LHALJBGFCHNCIK-UHFFFAOYSA-N
SMILES:
C1=NC=c2c(N=C1)cnc[nH]2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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