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1353985-84-8 | [Cyclopropyl-(2-iodo-benzyl)-amino]-acetic acid
CAS No: 1353985-84-8 Catalog No: AG01F9TQ MDL No:
Product Description
Catalog Number:
AG01F9TQ
Chemical Name:
[Cyclopropyl-(2-iodo-benzyl)-amino]-acetic acid
CAS Number:
1353985-84-8
Molecular Formula:
C12H14INO2
Molecular Weight:
331.1495
IUPAC Name:
2-[cyclopropyl-[(2-iodophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H14INO2/c13-11-4-2-1-3-9(11)7-14(8-12(15)16)10-5-6-10/h1-4,10H,5-8H2,(H,15,16)
InChI Key:
OEMVPLGWQRZHHY-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1ccccc1I
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.153g/mol
Monoisotopic Mass:
331.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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