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113728-13-5 | Acetamide, 2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1)
CAS No: 113728-13-5 Catalog No: AG0009HC MDL No:MFCD00058452
Product Description
Catalog Number:
AG0009HC
Chemical Name:
Acetamide, 2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1)
CAS Number:
113728-13-5
Molecular Formula:
C12H13BrN2O3
Molecular Weight:
313.1472
MDL Number:
MFCD00058452
IUPAC Name:
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide;hydrobromide
InChI:
InChI=1S/C12H12N2O3.BrH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H
InChI Key:
NNHMGPIGAMTPDU-UHFFFAOYSA-N
SMILES:
NCC(=O)Nc1ccc2c(c1)oc(=O)cc2C.Br
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.151g/mol
Monoisotopic Mass:
312.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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