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1255099-30-9 | 2H-1-Benzopyran-3-carboxylic acid, 3-amino-8-bromo-3,4-dihydro-
CAS No: 1255099-30-9 Catalog No: AG000NSO MDL No:
Product Description
Catalog Number:
AG000NSO
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 3-amino-8-bromo-3,4-dihydro-
CAS Number:
1255099-30-9
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
IUPAC Name:
3-amino-8-bromo-2,4-dihydrochromene-3-carboxylic acid
InChI:
InChI=1S/C10H10BrNO3/c11-7-3-1-2-6-4-10(12,9(13)14)5-15-8(6)7/h1-3H,4-5,12H2,(H,13,14)
InChI Key:
RIHADWCFSZNKJA-UHFFFAOYSA-N
SMILES:
NC1(Cc2cccc(c2OC1)Br)C(=O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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