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1515918-28-1 | Benzeneacetic acid, α-amino-4-bromo-α-(2-methylpropyl)-
CAS No: 1515918-28-1 Catalog No: AG001NFC MDL No:
Product Description
Catalog Number:
AG001NFC
Chemical Name:
Benzeneacetic acid, α-amino-4-bromo-α-(2-methylpropyl)-
CAS Number:
1515918-28-1
Molecular Formula:
C12H16BrNO2
Molecular Weight:
286.1649
IUPAC Name:
2-amino-2-(4-bromophenyl)-4-methylpentanoic acid
InChI:
InChI=1S/C12H16BrNO2/c1-8(2)7-12(14,11(15)16)9-3-5-10(13)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,16)
InChI Key:
XSEHJTKHRJFECV-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccc(cc1)Br)(C(=O)O)N)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.169g/mol
Monoisotopic Mass:
285.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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