AG004HRE

879893-98-8 | 3-Amino-4-methoxyphenylboronic acid

AG004HRE

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CAS Number	879893-98-8
Catalog Number	AG004HRE(AGN-PC-03VBS7)
Chemical Name	3-Amino-4-methoxyphenylboronic acid
IUPAC Name	(3-amino-4-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H10BNO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,9H2,1H3
InChI Key	QMYCMNKKHXJWLC-UHFFFAOYSA-N
MDL Number	MFCD03095251
Molecular Formula	C7H10BNO3
Molecular Weight	166.9702
SMILES	COC1=C(N)C=C(B(O)O)C=C1
Synonyms	879893-98-8, (3-amino-4-methoxyphenyl)boronic acid, 3-AMINO-4-METHOXYPHENYLBORONIC ACID, ACMC-209qqt, SCHEMBL3191612, CTK5F9225, DTXSID10628572, QMYCMNKKHXJWLC-UHFFFAOYSA-N, ANW-38931, FCH922530, MFCD03095251, AKOS006344770, ZINC169746334, OR70046, (3-amino-4-methoxy-phenyl)boronic acid, (3-azanyl-4-methoxy-phenyl)boronic acid, AX8084187, Boronic acid,B-(3-amino-4-methoxyphenyl)-, DB-081683, ST2402314, TX-011865, FT-0709009, V8571, A-3726, A842432, C7H10BNO3, 3-AMINO-4-METHOXYPHENYLBORONICACID,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.075g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	166.971g/mol
Monoisotopic Mass	167.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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