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74077-25-1 | 2H-1,4-Benzodiazepin-2-one,7-bromo-5-(2-chloro-6-hydroxyphenyl)-1,3-dihydro-
CAS No: 74077-25-1 Catalog No: AG005HMH MDL No:
Product Description
Catalog Number:
AG005HMH
Chemical Name:
2H-1,4-Benzodiazepin-2-one,7-bromo-5-(2-chloro-6-hydroxyphenyl)-1,3-dihydro-
CAS Number:
74077-25-1
Molecular Formula:
C15H10BrClN2O2
Molecular Weight:
365.6091
IUPAC Name:
7-bromo-5-(2-chloro-6-hydroxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H10BrClN2O2/c16-8-4-5-11-9(6-8)15(18-7-13(21)19-11)14-10(17)2-1-3-12(14)20/h1-6,20H,7H2,(H,19,21)
InChI Key:
ZGSUUBCLPJFUBF-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)ccc(c2)Br)c1c(O)cccc1Cl
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.961g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.611g/mol
Monoisotopic Mass:
363.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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