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1343662-35-0 | 3-Bromo-4-((tert-butoxycarbonyl)amino)benzoic acid
CAS No: 1343662-35-0 Catalog No: AG003AKR MDL No:MFCD17170504
Product Description
Catalog Number:
AG003AKR
Chemical Name:
3-Bromo-4-((tert-butoxycarbonyl)amino)benzoic acid
CAS Number:
1343662-35-0
Molecular Formula:
C12H14BrNO4
Molecular Weight:
316.1479
MDL Number:
MFCD17170504
IUPAC Name:
3-bromo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-5-4-7(10(15)16)6-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
WTUBUWHRWDGTCG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1Br)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.151g/mol
Monoisotopic Mass:
315.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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