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88732-43-8 | 9H-Carbazole-9-acetonitrile, 6-bromo-1,2,3,4-tetrahydro-1-oxo-
CAS No: 88732-43-8 Catalog No: AG0044ZK MDL No:
Product Description
Catalog Number:
AG0044ZK
Chemical Name:
9H-Carbazole-9-acetonitrile, 6-bromo-1,2,3,4-tetrahydro-1-oxo-
CAS Number:
88732-43-8
Molecular Formula:
C14H11BrN2O
Molecular Weight:
303.1539
IUPAC Name:
2-(6-bromo-1-oxo-3,4-dihydro-2H-carbazol-9-yl)acetonitrile
InChI:
InChI=1S/C14H11BrN2O/c15-9-4-5-12-11(8-9)10-2-1-3-13(18)14(10)17(12)7-6-16/h4-5,8H,1-3,7H2
InChI Key:
ZGUUKHQZEBAOLJ-UHFFFAOYSA-N
SMILES:
N#CCn1c2ccc(cc2c2c1C(=O)CCC2)Br
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.159g/mol
Monoisotopic Mass:
302.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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