Home Other Building Blocks 2-TERT-BUTOXYCARBONYLAMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID

2-TERT-BUTOXYCARBONYLAMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID

CAS No.:
1407973-04-9
Catalog Number:
AG01EKHF
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
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Product Description
Catalog Number:
AG01EKHF
Chemical Name:
2-TERT-BUTOXYCARBONYLAMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID
CAS Number:
1407973-04-9
Molecular Formula:
C14H18ClNO4
Molecular Weight:
299.7500
MDL Number:
MFCD06656167
IUPAC Name:
3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
TUUQJNHCVFJMPU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccccc1Cl
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.092g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.751g/mol
Monoisotopic Mass:
299.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties