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Home > Encyclopedia > Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI)

Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI)

Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI) structure

Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI) 

structure
  • CAS No:

    774530-27-7

  • Formula:

    C8H10BNO4

  • Chemical Name:

    Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI)

  • Synonyms:

    (2-Amino-4-(methoxycarbonyl)phenyl)boronic acid;(2-amino-4-methoxycarbonylphenyl)boronic acid;[2-amino-4-(methoxycarbonyl)phenyl]boronic acid;SCHEMBL629923;CTK8C4493;DTXSID40372253;2143AC;ANW-72145;AKOS016007565;ZINC169745754

Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI) Basic Attributes

194.9803

195.07000

DTXSID40372253

2931900090

Characteristics

92.8

-0.68360

1.3±0.1g/cm3

200-204°C

427.6±55.0°C at 760 mmHg

212.4±31.5°C

1.569

Safety Information

R36/37/38

S26;S37;S60

X

Computed Properties

Molecular Weight:194.98
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:195.0702880
Monoisotopic Mass:195.0702880
Topological Polar Surface Area:92.8
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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