CAS
455-85-6 Purity
98%
455-85-6 Purity
98%
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3-Amino-4-bromobenzoic acid methylester
CAS
46064-79-3
Catalog Number
ACM46064793
Category
Bromine Series
Molecular Weight
230.06
Molecular Formula
C8H8NO2Br
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Specification
Synonyms
methyl 3-amino-4-bromobenzoate, 46064-79-3, 3-Amino-4-bromobenzoic acid methyl ester, methyl3-amino-4-bromobenzoate, 3-Amino-4-bromobenzoicacidmethyl ester, AG-F-58920, benzoic acid, 3-amino-4-bromo-, methyl ester, 3-Amino-4-bromobenzoic acid methylester, PubChem16736, AC1MZX1M, ACMC-1ALS0, SureCN3926294, KSC495I6H, methyl-3-amino-4-bromobenzoate, CTK3J5463, MolPort-003-984-845, 2-Bromo-5-methoxycarbonylaniline;, WT339, ACN-S003834, ANW-30399
IUPAC Name
methyl 3-amino-4-bromobenzoate
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)Br)N
InChI Key
GPMSTDWXXKAKCT-UHFFFAOYSA-N
Boiling Point
337ºC at 760 mmHg
Melting Point
118-120ºC
Density
1.578 g/cm³
Exact Mass
228.97400
H-Bond Acceptor
3
H-Bond Donor
1
What is the PubChem CID for 3-Amino-4-bromobenzoic acid methylester?
PubChem CID 3928639.
What is the molecular formula of 3-Amino-4-bromobenzoic acid methylester?
The molecular formula is C8H8BrNO2.
What are some synonyms for 3-Amino-4-bromobenzoic acid methylester?
Some synonyms include methyl 3-amino-4-bromobenzoate, 46064-79-3, MFCD00553090, 3-amino-4-bromo-benzoic acid methyl ester.
What is the molecular weight of 3-Amino-4-bromobenzoic acid methylester?
The molecular weight is 230.06 g/mol.
What is the IUPAC name of 3-Amino-4-bromobenzoic acid methylester?
The IUPAC name is methyl 3-amino-4-bromobenzoate.
What is the InChI of 3-Amino-4-bromobenzoic acid methylester?
The InChI is InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3.
What is the InChIKey of 3-Amino-4-bromobenzoic acid methylester?
The InChIKey is GPMSTDWXXKAKCT-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Amino-4-bromobenzoic acid methylester?
The canonical SMILES is COC(=O)C1=CC(=C(C=C1)Br)N.
What is the CAS number of 3-Amino-4-bromobenzoic acid methylester?
The CAS number is 46064-79-3.
Is 3-Amino-4-bromobenzoic acid methylester the canonicalized compound?
Yes, it is the canonicalized compound.
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