CAS
98544-93-5 Purity
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98544-93-5 Purity
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Methyl 4-amino-2-bromobenzoate
CAS
98545-64-3
Catalog Number
ACM98545643
Category
Other Products
Molecular Weight
230.058620 [g/mol]
Molecular Formula
C8H8BrNO2
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Specification
Synonyms
methyl 4-amino-2-bromobenzoate, 98545-64-3, AC1NROB8, SureCN3172089, MolPort-003-719-458, BBL023766, CL9065, STL255757, AKOS015953299, AM83234, MCULE-2588756091, QC-5492, AK120911, KB-25316, Benzoic acid,4-amino-2-bromo-,methyl ester, TL80090656, Benzoic acid, 4-amino-2-bromo-, methyl ester
IUPAC Name
methyl 4-amino-2-bromobenzoate
Canonical SMILES
COC(=O)C1=C(C=C(C=C1)N)Br
InChI Key
KZOQVTUWEHNNMH-UHFFFAOYSA-N
Boiling Point
345.2ºC at 760 mmHg
Flash Point
162.6ºC
Density
1.578g/cm³
Exact Mass
228.97400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 4-amino-2-bromobenzoate?
The molecular formula of Methyl 4-amino-2-bromobenzoate is C8H8BrNO2.
What is the IUPAC name of Methyl 4-amino-2-bromobenzoate?
The IUPAC name of Methyl 4-amino-2-bromobenzoate is methyl 4-amino-2-bromobenzoate.
What is the molecular weight of Methyl 4-amino-2-bromobenzoate?
The molecular weight of Methyl 4-amino-2-bromobenzoate is 230.06 g/mol.
What is the InChI of Methyl 4-amino-2-bromobenzoate?
The InChI of Methyl 4-amino-2-bromobenzoate is InChI=1S/C8H8BrNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3.
What is the InChIKey of Methyl 4-amino-2-bromobenzoate?
The InChIKey of Methyl 4-amino-2-bromobenzoate is KZOQVTUWEHNNMH-UHFFFAOYSA-N.
What is the canonical SMILES of Methyl 4-amino-2-bromobenzoate?
The canonical SMILES of Methyl 4-amino-2-bromobenzoate is COC(=O)C1=C(C=C(C=C1)N)Br.
What is the CAS number of Methyl 4-amino-2-bromobenzoate?
The CAS number of Methyl 4-amino-2-bromobenzoate is 98545-64-3.
How many hydrogen bond donor counts are there in Methyl 4-amino-2-bromobenzoate?
There is 1 hydrogen bond donor count in Methyl 4-amino-2-bromobenzoate.
How many hydrogen bond acceptor counts are there in Methyl 4-amino-2-bromobenzoate?
There are 3 hydrogen bond acceptor counts in Methyl 4-amino-2-bromobenzoate.
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