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2894-61-3 | 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-
CAS No: 2894-61-3 Catalog No: AG002X5C MDL No:MFCD00433892
Product Description
Catalog Number:
AG002X5C
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-
CAS Number:
2894-61-3
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
MDL Number:
MFCD00433892
IUPAC Name:
7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChI Key:
ATCCWKYKHCKDGT-UHFFFAOYSA-N
SMILES:
O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccc1
UNII:
B5O0SGUU77
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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