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1000018-13-2

1000018-13-2 | Benzoic acid, 2-amino-5-bromo-4-(1-methylethyl)-, methyl ester

CAS No: 1000018-13-2 Catalog No: AG000097 MDL No:MFCD09864815

Product Description

Catalog Number:
AG000097
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-(1-methylethyl)-, methyl ester
CAS Number:
1000018-13-2
Molecular Formula:
C11H14BrNO2
Molecular Weight:
272.1384
MDL Number:
MFCD09864815
IUPAC Name:
methyl 2-amino-5-bromo-4-propan-2-ylbenzoate
InChI:
InChI=1S/C11H14BrNO2/c1-6(2)7-5-10(13)8(4-9(7)12)11(14)15-3/h4-6H,13H2,1-3H3
InChI Key:
DXRFEGRLPOBRKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1N)C(C)C

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.142g/mol
Monoisotopic Mass:
271.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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