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864293-44-7

864293-44-7 | 2-Amino-5-bromo-3-methoxybenzoic acid

CAS No: 864293-44-7 Catalog No: AG0036CX MDL No:MFCD11101005

Product Description

Catalog Number:
AG0036CX
Chemical Name:
2-Amino-5-bromo-3-methoxybenzoic acid
CAS Number:
864293-44-7
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD11101005
IUPAC Name:
2-amino-5-bromo-3-methoxybenzoic acid
InChI:
InChI=1S/C8H8BrNO3/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
YSBGYQUUOKRQAT-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1N)C(=O)O

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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