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88737-30-8 | 2H-Benzofuro[3,2-e]-1,4-diazepin-2-one, 1,3-dihydro-5-methyl-
CAS No: 88737-30-8 Catalog No: AG004D1Z MDL No:
Product Description
Catalog Number:
AG004D1Z
Chemical Name:
2H-Benzofuro[3,2-e]-1,4-diazepin-2-one, 1,3-dihydro-5-methyl-
CAS Number:
88737-30-8
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
5-methyl-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
InChI:
InChI=1S/C12H10N2O2/c1-7-12-11(14-10(15)6-13-7)8-4-2-3-5-9(8)16-12/h2-5H,6H2,1H3,(H,14,15)
InChI Key:
ZGWXEJQSUGUWPH-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)c1ccccc1o2)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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