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6966-79-6 | N-[1-(3-AMINOPHENYL)ETHYLIDENEAMINO]-3-BROMO-4-METHOXY-BENZAMIDE
CAS No: 6966-79-6 Catalog No: AG005JMZ MDL No:
Product Description
Catalog Number:
AG005JMZ
Chemical Name:
N-[1-(3-AMINOPHENYL)ETHYLIDENEAMINO]-3-BROMO-4-METHOXY-BENZAMIDE
CAS Number:
6966-79-6
Molecular Formula:
C16H16BrN3O2
Molecular Weight:
362.2211
IUPAC Name:
N-[1-(3-aminophenyl)ethylideneamino]-3-bromo-4-methoxybenzamide
InChI:
InChI=1S/C16H16BrN3O2/c1-10(11-4-3-5-13(18)8-11)19-20-16(21)12-6-7-15(22-2)14(17)9-12/h3-9H,18H2,1-2H3,(H,20,21)
InChI Key:
MQWCBKOYOBVMNZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C(=O)NN=C(c1cccc(c1)N)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.227g/mol
Monoisotopic Mass:
361.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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