Methyl 3-amino-2-bromobenzoate - CAS 106896-48-4

Name: Methyl 3-amino-2-bromobenzoate
Brand: BOC Sciences
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Catalog:	BB001939
Product Name:	Methyl 3-amino-2-bromobenzoate
CAS:	106896-48-4
Synonyms:	methyl 3-amino-2-bromobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-2-bromobenzoate
Description:	Methyl 3-amino-2-bromobenzoate (CAS# 106896-48-4) is used in preparation of Carbazole-based compounds and its application as IDO inhibitor.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	COC(=O)C1=C(C(=CC=C1)N)Br
InChI:	InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key:	NIXWZYZFLFEHMB-UHFFFAOYSA-N
Boiling Point:	314.133 °C at 760 mmHg
Density:	1.578 g/cm³
Appearance:	Liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD03844437
LogP:	2.39910

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Nitrogen Compounds

[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
CN-111196804-A	TGF- Î² R1 inhibitor and application thereof	20181120
WO-2018153365-A1	Substituted fused heteroaryl tricyclic compound as kinase inhibitor and application thereof	20170227
US-2021128535-A1	Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof	20170227
JP-2017048214-A	Fused tetracyclic or fused pentacyclic dihydrodiazepinocarbazolones as PARP inhibitors	20161028

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8