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192377-76-7

192377-76-7 | Benzenamine, 3-bromo-4-methoxy-, phosphate (1:1)

CAS No: 192377-76-7 Catalog No: AG002FW4 MDL No:

Product Description

Catalog Number:
AG002FW4
Chemical Name:
Benzenamine, 3-bromo-4-methoxy-, phosphate (1:1)
CAS Number:
192377-76-7
Molecular Formula:
C7H11BrNO5P
Molecular Weight:
300.0437
IUPAC Name:
3-bromo-4-methoxyaniline;phosphoric acid
InChI:
InChI=1S/C7H8BrNO.H3O4P/c1-10-7-3-2-5(9)4-6(7)8;1-5(2,3)4/h2-4H,9H2,1H3;(H3,1,2,3,4)
InChI Key:
UOIOLTHHVMCMTF-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.COc1ccc(cc1Br)N

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.956g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
300.045g/mol
Monoisotopic Mass:
298.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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