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CBI-BBZERO/001711

CBI-BBZERO/001711 structure

CAS No:
35212-90-9
Formula:
C10H8N2O4S
Chemical Name:
CBI-BBZERO/001711
Synonyms:
CBI-BB ZERO/001711;Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate;3-Amino-6-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester;Benzo[b]thiophene-2-carboxylic acid, 3-amino-6-nitro-, methyl ester

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CBI-BBZERO/001711 Basic Attributes

Molecular Weight：

252.25

Exact Mass：

252.02047791 g/mol

DSSTox ID：

DTXSID90347299

HScode：

2934999090

Characteristics

PSA：

126.38000

XLogP3：

3.28270

Density：

1.528±0.06 g/cm3

Melting Point：

231-232°

Boiling Point：

450.2±40.0 °C(Predicted)

PKA：

-0.39±0.10

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:252.25
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:252.02047791
Monoisotopic Mass:252.02047791
Topological Polar Surface Area:126
Heavy Atom Count:17
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CBI-BBZERO/001711

Basic Attributes
Characteristics
Safety Information
Computed Properties

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