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1240642-73-2 | 1-Naphthalenecarbonitrile, 5-amino-6-bromo-
CAS No: 1240642-73-2 Catalog No: AG000LIG MDL No:MFCD26404015
Product Description
Catalog Number:
AG000LIG
Chemical Name:
1-Naphthalenecarbonitrile, 5-amino-6-bromo-
CAS Number:
1240642-73-2
Molecular Formula:
C11H7BrN2
Molecular Weight:
247.0907
MDL Number:
MFCD26404015
IUPAC Name:
5-amino-6-bromonaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H7BrN2/c12-10-5-4-8-7(6-13)2-1-3-9(8)11(10)14/h1-5H,14H2
InChI Key:
LAOAPHCPPMKGTI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccc(c2N)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.095g/mol
Monoisotopic Mass:
245.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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