Home Amines 1000342-11-9
1000342-11-9,MFCD08690071
Catalog No.:AA0000G4
1000342-11-9 | Benzoic acid, 3-amino-5-bromo-2-methyl-, methyl ester
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Purity
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Price(USD)
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5g
98%
in stock  
$17.00
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10g
98%
in stock  
$28.00
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25g
95%
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$66.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000G4
Chemical Name:
Benzoic acid, 3-amino-5-bromo-2-methyl-, methyl ester
CAS Number:
1000342-11-9
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD08690071
IUPAC Name:
methyl 3-amino-5-bromo-2-methylbenzoate
InChI:
InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3
InChI Key:
NMLOSXSDLWFBKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)N
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
Methyl 3-amino-5-bromo-2-methylbenzoate 
1000342-11-9 
NMLOSXSDLWFBKT-UHFFFAOYSA-N 
BCP06444 
CS-M3309 
KS-000004WZ 
ANW-56425 
CM-487 
MFCD08690071 
ZINC14985563 
AKOS014641476 
PB11867 
3-amino-2-methyl-5-bromo benzoic acid methyl ester 
TRA0010766 
methyl 3-amino-2-methyl-5-bromobenzoate 
AJ-66353 
AK-85928 
AS-19168 
BC004995 
CJ-14838 
QC-10590 
SC-48756 
SY016738 
3-Amino-5-bromo-2-methyl-benzoic acid methyl ester 
AB0031772 
DB-021389 
TC-145170 
4CH-003407 
AM20130013 
FT-0736309 
M2844 
ST24025274 
X4974 
J3.546.487E 
PubChem23971 
Q-1110 
MFCD08690071 (97+%) 
3-Amino-5-bromo-2-methylbenzoic Acid Methyl Ester 
Z1741980795 
C9H10BrNO2 
ACN-050323 
C9H10NO2BR 
benzoic acid, 3-amino-5-bromo-2-methyl-, methyl ester 
SCHEMBL12499964 
CTK8B7114 
DTXSID10646615 
Literature
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