Home Other Building Blocks 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(3,5-DIBROMOPHENYL)PROPANOIC ACID

2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(3,5-DIBROMOPHENYL)PROPANOIC ACID

CAS No.:
1259976-03-8
Catalog Number:
AG01DV4V
Molecular Formula:
C14H17Br2NO4
Molecular Weight:
423.0971
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Product Description
Catalog Number:
AG01DV4V
Chemical Name:
2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(3,5-DIBROMOPHENYL)PROPANOIC ACID
CAS Number:
1259976-03-8
Molecular Formula:
C14H17Br2NO4
Molecular Weight:
423.0971
MDL Number:
MFCD09916559
IUPAC Name:
3-(3,5-dibromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17Br2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
HQICTPLNJXAZQF-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cc(Br)cc(c1)Br)NC(=O)OC(C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.95g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
423.101g/mol
Monoisotopic Mass:
420.952g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties