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79320-86-8 | benzylidene-p-bromoaniline
CAS No: 79320-86-8 Catalog No: AG005KDU MDL No:
Product Description
Catalog Number:
AG005KDU
Chemical Name:
benzylidene-p-bromoaniline
CAS Number:
79320-86-8
Molecular Formula:
C13H10BrN
Molecular Weight:
260.1292
IUPAC Name:
[(1S,2R,7R,9S,10R,14S,15S)-10-hydroxy-1,5,12-trimethylspiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxirane]-2-yl]methyl acetate
InChI:
InChI=1S/C19H25NO6/c1-10-5-6-17(8-23-12(3)21)13(7-10)26-15-18(9-24-18)16(17,4)14-19(15,22)20-11(2)25-14/h7,13-15,22H,5-6,8-9H2,1-4H3/t13-,14+,15+,16-,17-,18+,19-/m1/s1
InChI Key:
VPAFCFZXLOFBST-IVBNJOGPSA-N
SMILES:
Brc1ccc(cc1)N=Cc1ccccc1
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
363.168g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.41g/mol
Monoisotopic Mass:
363.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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